4-(4-fluorophenyl)-N-[3-nitro-4-[(1-phenylsulfanylcycloheptyl)methoxy]phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[(1-phenylsulfanylcycloheptyl)methoxy]phenyl]sulfonyl-benzamide Openeye Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[(1-phenylsulfanylcycloheptyl)methoxy]phenyl]sulfonyl-benzamide CAS Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[[1-(phenylthio)cycloheptyl]methoxy]phenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[(1-phenylsulfanylcycloheptyl)methoxy]phenyl]sulfonylbenzamide Traditional Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[[1-(phenylthio)cycloheptyl]methoxy]phenyl]sulfonyl-benzamide Formula: C33H31FN2O6S2 MolecularWeight: 634.737443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(COC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-])SC5=CC=CC=C5

Isomeric SMILES

C1CCCC(CC1)(COC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)[N+](=O)[O-])SC5=CC=CC=C5

InChI

InChI=1S/C33H31FN2O6S2/c34-27-16-14-25(15-17-27)24-10-12-26(13-11-24)32(37)35-44(40,41)29-18-19-31(30(22-29)36(38)39)42-23-33(20-6-1-2-7-21-33)43-28-8-4-3-5-9-28/h3-5,8-19,22H,1-2,6-7,20-21,23H2,(H,35,37)