3-(2-methylpropylamino)-5-sulfamoyl-4-sulfanyl-benzoic acid; N-phenylethanamide

Systemtic Name: 3-(2-methylpropylamino)-5-sulfamoyl-4-sulfanyl-benzoic acid; N-phenylethanamide Openeye Name: 3-(isobutylamino)-5-sulfamoyl-4-sulfanyl-benzoic acid; N-phenylacetamide CAS Name: 4-mercapto-3-(2-methylpropylamino)-5-sulfamoylbenzoic acid; N-phenylacetamide IUPAC Name: 3-(2-methylpropylamino)-5-sulfamoyl-4-sulfanylbenzoic acid; N-phenylacetamide Traditional Name: 3-(isobutylamino)-4-mercapto-5-sulfamoyl-benzoic acid; N-phenylacetamide Formula: C19H25N3O5S2 MolecularWeight: 439.5489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)S.CC(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(C)CNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)S.CC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C11H16N2O4S2.C8H9NO/c1-6(2)5-13-8-3-7(11(14)15)4-9(10(8)18)19(12,16)17;1-7(10)9-8-5-3-2-4-6-8/h3-4,6,13,18H,5H2,1-2H3,(H,14,15)(H2,12,16,17);2-6H,1H3,(H,9,10)