3-(butylaminosulfamoyl)-4-sulfanyl-benzoic acid; N-phenylethanamide

Systemtic Name: 3-(butylaminosulfamoyl)-4-sulfanyl-benzoic acid; N-phenylethanamide Openeye Name: 3-(butylaminosulfamoyl)-4-sulfanyl-benzoic acid; N-phenylacetamide CAS Name: 3-(butylaminosulfamoyl)-4-mercaptobenzoic acid; N-phenylacetamide IUPAC Name: 3-(butylaminosulfamoyl)-4-sulfanylbenzoic acid; N-phenylacetamide Traditional Name: 3-(butylaminosulfamoyl)-4-mercapto-benzoic acid; N-phenylacetamide Formula: C19H25N3O5S2 MolecularWeight: 439.5489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNNS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)S.CC(=O)NC1=CC=CC=C1

Isomeric SMILES

CCCCNNS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)S.CC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C11H16N2O4S2.C8H9NO/c1-2-3-6-12-13-19(16,17)10-7-8(11(14)15)4-5-9(10)18;1-7(10)9-8-5-3-2-4-6-8/h4-5,7,12-13,18H,2-3,6H2,1H3,(H,14,15);2-6H,1H3,(H,9,10)