4-(4-fluorophenyl)-N-[3-nitro-4-[(2-phenylsulfanylcyclohexyl)methylamino]phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[(2-phenylsulfanylcyclohexyl)methylamino]phenyl]sulfonyl-benzamide Openeye Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[(2-phenylsulfanylcyclohexyl)methylamino]phenyl]sulfonyl-benzamide CAS Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[[2-(phenylthio)cyclohexyl]methylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[(2-phenylsulfanylcyclohexyl)methylamino]phenyl]sulfonylbenzamide Traditional Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[[2-(phenylthio)cyclohexyl]methylamino]phenyl]sulfonyl-benzamide Formula: C32H30FN3O5S2 MolecularWeight: 619.726103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CNC2=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

C1CCC(C(C1)CNC2=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/C32H30FN3O5S2/c33-26-16-14-23(15-17-26)22-10-12-24(13-11-22)32(37)35-43(40,41)28-18-19-29(30(20-28)36(38)39)34-21-25-6-4-5-9-31(25)42-27-7-2-1-3-8-27/h1-3,7-8,10-20,25,31,34H,4-6,9,21H2,(H,35,37)