3-[(2-nitro-4-sulfamoyl-phenyl)amino]-4-phenylsulfanyl-butanoic acid

Systemtic Name: 3-[(2-nitro-4-sulfamoyl-phenyl)amino]-4-phenylsulfanyl-butanoic acid Openeye Name: 3-(2-nitro-4-sulfamoyl-anilino)-4-phenylsulfanyl-butanoic acid CAS Name: 3-(2-nitro-4-sulfamoylanilino)-4-(phenylthio)butanoic acid IUPAC Name: 3-(2-nitro-4-sulfamoylanilino)-4-phenylsulfanylbutanoic acid Traditional Name: 3-(2-nitro-4-sulfamoyl-anilino)-4-(phenylthio)butyric acid Formula: C16H17N3O6S2 MolecularWeight: 411.45268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(CC(=O)O)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC(CC(=O)O)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6S2/c17-27(24,25)13-6-7-14(15(9-13)19(22)23)18-11(8-16(20)21)10-26-12-4-2-1-3-5-12/h1-7,9,11,18H,8,10H2,(H,20,21)(H2,17,24,25)