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

Systemtic Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[(1-phenylmethoxy-3-phenylsulfanyl-propan-2-yl)amino]phenyl]sulfonyl-benzamide Openeye Name: N-[4-[[1-(benzyloxymethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide CAS Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[[1-phenylmethoxy-3-(phenylthio)propan-2-yl]amino]phenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[(1-phenylmethoxy-3-phenylsulfanylpropan-2-yl)amino]phenyl]sulfonylbenzamide Traditional Name: N-[4-[[1-(benzoxymethyl)-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Formula: C35H30FN3O6S2 MolecularWeight: 671.757603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C35H30FN3O6S2/c36-29-17-15-27(16-18-29)26-11-13-28(14-12-26)35(40)38-47(43,44)32-19-20-33(34(21-32)39(41)42)37-30(24-46-31-9-5-2-6-10-31)23-45-22-25-7-3-1-4-8-25/h1-21,30,37H,22-24H2,(H,38,40)