| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:12:42 UTC |
|---|
| Update Date | 2025-03-25 00:58:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02230296 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14N2O2S |
|---|
| Molecular Mass | 250.0776 |
|---|
| SMILES | CN(C)c1ccc2ccccc2c1S(N)(=O)=O |
|---|
| InChI Key | FFLMAIUISBRCEU-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 homopolycyclic compounds |
|---|
| Alternative Parents | 1-naphthalene sulfonamidesaminosulfonyl compoundsdialkylarylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonamides |
|---|
| Substituents | organosulfonic acid or derivativesaminosulfonyl compoundaromatic homopolycyclic compoundnaphthalene sulfonamideorganosulfur compound1-naphthalene sulfonic acid or derivativesorganosulfonic acid amideorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativestertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compounddialkylarylamine1-naphthalene sulfonamideaminetertiary amine |
|---|
