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

Systemtic Name: N-phenylethanamide; 3-sulfamoyl-4-sulfanyl-benzoic acid Openeye Name: N-phenylacetamide; 3-sulfamoyl-4-sulfanyl-benzoic acid CAS Name: 4-mercapto-3-sulfamoylbenzoic acid; N-phenylacetamide IUPAC Name: N-phenylacetamide; 3-sulfamoyl-4-sulfanylbenzoic acid Traditional Name: 4-mercapto-3-sulfamoyl-benzoic acid; N-phenylacetamide Formula: C15H16N2O5S2 MolecularWeight: 368.42794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1.C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)S

Isomeric SMILES

CC(=O)NC1=CC=CC=C1.C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)S

InChI

InChI=1S/C8H9NO.C7H7NO4S2/c1-7(10)9-8-5-3-2-4-6-8;8-14(11,12)6-3-4(7(9)10)1-2-5(6)13/h2-6H,1H3,(H,9,10);1-3,13H,(H,9,10)(H2,8,11,12)