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

Systemtic Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[(1-oxidanyl-3-phenylsulfanyl-propan-2-yl)amino]phenyl]sulfonyl-benzamide Openeye Name: 4-(4-fluorophenyl)-N-[4-[[1-(hydroxymethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(4-fluorophenyl)-N-[4-[[1-hydroxy-3-(phenylthio)propan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[4-[(1-hydroxy-3-phenylsulfanylpropan-2-yl)amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(4-fluorophenyl)-N-[4-[[1-methylol-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C28H24FN3O6S2 MolecularWeight: 581.635063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(CO)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(CO)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/C28H24FN3O6S2/c29-22-12-10-20(11-13-22)19-6-8-21(9-7-19)28(34)31-40(37,38)25-14-15-26(27(16-25)32(35)36)30-23(17-33)18-39-24-4-2-1-3-5-24/h1-16,23,30,33H,17-18H2,(H,31,34)