3-[[(E)-but-2-enyl]amino]-5-sulfamoyl-4-sulfanyl-benzoic acid; N-phenylethanamide

Systemtic Name: 3-[[(E)-but-2-enyl]amino]-5-sulfamoyl-4-sulfanyl-benzoic acid; N-phenylethanamide Openeye Name: 3-[[(E)-but-2-enyl]amino]-5-sulfamoyl-4-sulfanyl-benzoic acid; N-phenylacetamide CAS Name: 3-[[(E)-but-2-enyl]amino]-4-mercapto-5-sulfamoylbenzoic acid; N-phenylacetamide IUPAC Name: 3-[[(E)-but-2-enyl]amino]-5-sulfamoyl-4-sulfanylbenzoic acid; N-phenylacetamide Traditional Name: 3-[[(E)-but-2-enyl]amino]-4-mercapto-5-sulfamoyl-benzoic acid; N-phenylacetamide Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)S.CC(=O)NC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O4S2.C8H9NO/c1-2-3-4-13-8-5-7(11(14)15)6-9(10(8)18)19(12,16)17;1-7(10)9-8-5-3-2-4-6-8/h2-3,5-6,13,18H,4H2,1H3,(H,14,15)(H2,12,16,17);2-6H,1H3,(H,9,10)/b3-2+;