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

Systemtic Name: 4-(4-fluorophenyl)-N-[4-[(1-methoxy-3-phenylsulfanyl-propan-2-yl)amino]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-(4-fluorophenyl)-N-[4-[[1-(methoxymethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(4-fluorophenyl)-N-[4-[[1-methoxy-3-(phenylthio)propan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[4-[(1-methoxy-3-phenylsulfanylpropan-2-yl)amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(4-fluorophenyl)-N-[4-[[1-(methoxymethyl)-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C29H26FN3O6S2 MolecularWeight: 595.661643

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CSC1=CC=CC=C1)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

COCC(CSC1=CC=CC=C1)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/c1-39-18-24(19-40-25-5-3-2-4-6-25)31-27-16-15-26(17-28(27)33(35)36)41(37,38)32-29(34)22-9-7-20(8-10-22)21-11-13-23(30)14-12-21/h2-17,24,31H,18-19H2,1H3,(H,32,34)