N-phenylethanamide; 3-[(phenylmethyl)amino]-5-sulfamoyl-4-sulfanyl-benzoic acid

Systemtic Name: N-phenylethanamide; 3-[(phenylmethyl)amino]-5-sulfamoyl-4-sulfanyl-benzoic acid Openeye Name: 3-(benzylamino)-5-sulfamoyl-4-sulfanyl-benzoic acid; N-phenylacetamide CAS Name: 4-mercapto-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid; N-phenylacetamide IUPAC Name: 3-(benzylamino)-5-sulfamoyl-4-sulfanylbenzoic acid; N-phenylacetamide Traditional Name: 3-(benzylamino)-4-mercapto-5-sulfamoyl-benzoic acid; N-phenylacetamide Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1.C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)S

Isomeric SMILES

CC(=O)NC1=CC=CC=C1.C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)S

InChI

InChI=1S/C14H14N2O4S2.C8H9NO/c15-22(19,20)12-7-10(14(17)18)6-11(13(12)21)16-8-9-4-2-1-3-5-9;1-7(10)9-8-5-3-2-4-6-8/h1-7,16,21H,8H2,(H,17,18)(H2,15,19,20);2-6H,1H3,(H,9,10)