3-[butyl(butylamino)sulfamoyl]-4-sulfanyl-benzoic acid; N-phenylethanamide

Systemtic Name: 3-[butyl(butylamino)sulfamoyl]-4-sulfanyl-benzoic acid; N-phenylethanamide Openeye Name: 3-[butyl(butylamino)sulfamoyl]-4-sulfanyl-benzoic acid; N-phenylacetamide CAS Name: 3-[butyl(butylamino)sulfamoyl]-4-mercaptobenzoic acid; N-phenylacetamide IUPAC Name: 3-[butyl(butylamino)sulfamoyl]-4-sulfanylbenzoic acid; N-phenylacetamide Traditional Name: 3-[butyl(butylamino)sulfamoyl]-4-mercapto-benzoic acid; N-phenylacetamide Formula: C23H33N3O5S2 MolecularWeight: 495.65522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNN(CCCC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)S.CC(=O)NC1=CC=CC=C1

Isomeric SMILES

CCCCNN(CCCC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)S.CC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C15H24N2O4S2.C8H9NO/c1-3-5-9-16-17(10-6-4-2)23(20,21)14-11-12(15(18)19)7-8-13(14)22;1-7(10)9-8-5-3-2-4-6-8/h7-8,11,16,22H,3-6,9-10H2,1-2H3,(H,18,19);2-6H,1H3,(H,9,10)