3-azanyl-5-sulfamoyl-4-sulfanyl-benzoic acid; N-phenylethanamide

Systemtic Name: 3-azanyl-5-sulfamoyl-4-sulfanyl-benzoic acid; N-phenylethanamide Openeye Name: 3-amino-5-sulfamoyl-4-sulfanyl-benzoic acid; N-phenylacetamide CAS Name: 3-amino-4-mercapto-5-sulfamoylbenzoic acid; N-phenylacetamide IUPAC Name: 3-amino-5-sulfamoyl-4-sulfanylbenzoic acid; N-phenylacetamide Traditional Name: 3-amino-4-mercapto-5-sulfamoyl-benzoic acid; N-phenylacetamide Formula: C15H17N3O5S2 MolecularWeight: 383.44258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1.C1=C(C=C(C(=C1N)S)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=CC=C1.C1=C(C=C(C(=C1N)S)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C8H9NO.C7H8N2O4S2/c1-7(10)9-8-5-3-2-4-6-8;8-4-1-3(7(10)11)2-5(6(4)14)15(9,12)13/h2-6H,1H3,(H,9,10);1-2,14H,8H2,(H,10,11)(H2,9,12,13)