4-(4-fluorophenyl)-N-[3-nitro-4-[(4-oxidanyl-1-phenylsulfanyl-butan-2-yl)amino]phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[(4-oxidanyl-1-phenylsulfanyl-butan-2-yl)amino]phenyl]sulfonyl-benzamide Openeye Name: 4-(4-fluorophenyl)-N-[4-[[3-hydroxy-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(4-fluorophenyl)-N-[4-[[4-hydroxy-1-(phenylthio)butan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[4-[(4-hydroxy-1-phenylsulfanylbutan-2-yl)amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(4-fluorophenyl)-N-[4-[[3-hydroxy-1-[(phenylthio)methyl]propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C29H26FN3O6S2 MolecularWeight: 595.661643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(CCO)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC(CCO)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C29H26FN3O6S2/c30-23-12-10-21(11-13-23)20-6-8-22(9-7-20)29(35)32-41(38,39)26-14-15-27(28(18-26)33(36)37)31-24(16-17-34)19-40-25-4-2-1-3-5-25/h1-15,18,24,31,34H,16-17,19H2,(H,32,35)