4-(4-fluorophenyl)-N-[4-[3-(2-methylphenyl)sulfanylpropoxy]-3-nitro-phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4-fluorophenyl)-N-[4-[3-(2-methylphenyl)sulfanylpropoxy]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[3-(o-tolylsulfanyl)propoxy]phenyl]sulfonyl-benzamide CAS Name: 4-(4-fluorophenyl)-N-[4-[3-[(2-methylphenyl)thio]propoxy]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[4-[3-(2-methylphenyl)sulfanylpropoxy]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[3-(o-tolylthio)propoxy]phenyl]sulfonyl-benzamide Formula: C29H25FN2O6S2 MolecularWeight: 580.647003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCCCOC2=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

CC1=CC=CC=C1SCCCOC2=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/C29H25FN2O6S2/c1-20-5-2-3-6-28(20)39-18-4-17-38-27-16-15-25(19-26(27)32(34)35)40(36,37)31-29(33)23-9-7-21(8-10-23)22-11-13-24(30)14-12-22/h2-3,5-16,19H,4,17-18H2,1H3,(H,31,33)