| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:47:17 UTC |
|---|
| Update Date | 2025-03-25 00:49:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02172232 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H19N3O2S |
|---|
| Molecular Mass | 305.1198 |
|---|
| SMILES | CN1CCN(c2ccc3cccc(S(N)(=O)=O)c3c2)CC1 |
|---|
| InChI Key | JMZMMFUGKYPLGU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | naphthalenes |
|---|
| Subclass | naphthalene sulfonic acids and derivatives |
|---|
| Direct Parent | 1-naphthalene sulfonic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-naphthalene sulfonamidesaminosulfonyl compoundsazacyclic compoundsdialkylarylamineshydrocarbon derivativesn-arylpiperazinesn-methylpiperazinesorganic oxidesorganopnictogen compoundsorganosulfonamidestrialkylamines |
|---|
| Substituents | organosulfonic acid or derivativesorganosulfur compound1-naphthalene sulfonic acid or derivativesorganosulfonic acid amideorganic oxidepiperazinearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary amineorganoheterocyclic compoundazacycleaminosulfonyl compoundn-alkylpiperazinetertiary aliphatic aminen-methylpiperazinenaphthalene sulfonamidesulfonylorganic oxygen compoundorganic sulfonic acid or derivatives1,4-diazinanehydrocarbon derivativeorganic nitrogen compound1-naphthalene sulfonamideaminen-arylpiperazine |
|---|
