4-(cyclohexen-1-yl)-N-[3-nitro-4-[(2-phenylsulfanylcyclohexyl)amino]phenyl]sulfonyl-benzamide

Systemtic Name: 4-(cyclohexen-1-yl)-N-[3-nitro-4-[(2-phenylsulfanylcyclohexyl)amino]phenyl]sulfonyl-benzamide Openeye Name: 4-(cyclohexen-1-yl)-N-[3-nitro-4-[(2-phenylsulfanylcyclohexyl)amino]phenyl]sulfonyl-benzamide CAS Name: 4-(1-cyclohexenyl)-N-[3-nitro-4-[[2-(phenylthio)cyclohexyl]amino]phenyl]sulfonylbenzamide IUPAC Name: 4-(cyclohexen-1-yl)-N-[3-nitro-4-[(2-phenylsulfanylcyclohexyl)amino]phenyl]sulfonylbenzamide Traditional Name: 4-(cyclohexen-1-yl)-N-[3-nitro-4-[[2-(phenylthio)cyclohexyl]amino]phenyl]sulfonyl-benzamide Formula: C31H33N3O5S2 MolecularWeight: 591.74082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC4CCCCC4SC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC4CCCCC4SC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H33N3O5S2/c35-31(24-17-15-23(16-18-24)22-9-3-1-4-10-22)33-41(38,39)26-19-20-27(29(21-26)34(36)37)32-28-13-7-8-14-30(28)40-25-11-5-2-6-12-25/h2,5-6,9,11-12,15-21,28,30,32H,1,3-4,7-8,10,13-14H2,(H,33,35)