3-(cyclopropylmethylamino)-5-sulfamoyl-4-sulfanyl-benzoic acid; N-phenylethanamide

Systemtic Name: 3-(cyclopropylmethylamino)-5-sulfamoyl-4-sulfanyl-benzoic acid; N-phenylethanamide Openeye Name: 3-(cyclopropylmethylamino)-5-sulfamoyl-4-sulfanyl-benzoic acid; N-phenylacetamide CAS Name: 3-(cyclopropylmethylamino)-4-mercapto-5-sulfamoylbenzoic acid; N-phenylacetamide IUPAC Name: 3-(cyclopropylmethylamino)-5-sulfamoyl-4-sulfanylbenzoic acid; N-phenylacetamide Traditional Name: 3-(cyclopropylmethylamino)-4-mercapto-5-sulfamoyl-benzoic acid; N-phenylacetamide Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1.C1CC1CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)S

Isomeric SMILES

CC(=O)NC1=CC=CC=C1.C1CC1CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)S

InChI

InChI=1S/C11H14N2O4S2.C8H9NO/c12-19(16,17)9-4-7(11(14)15)3-8(10(9)18)13-5-6-1-2-6;1-7(10)9-8-5-3-2-4-6-8/h3-4,6,13,18H,1-2,5H2,(H,14,15)(H2,12,16,17);2-6H,1H3,(H,9,10)