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

Systemtic Name: 4-(cyclohexen-1-yl)-N-[4-[(1-cyclohexyl-2-phenylsulfanyl-ethyl)amino]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-(cyclohexen-1-yl)-N-[4-[(1-cyclohexyl-2-phenylsulfanyl-ethyl)amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(1-cyclohexenyl)-N-[4-[[1-cyclohexyl-2-(phenylthio)ethyl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(cyclohexen-1-yl)-N-[4-[(1-cyclohexyl-2-phenylsulfanylethyl)amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(cyclohexen-1-yl)-N-[4-[[1-cyclohexyl-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C33H37N3O5S2 MolecularWeight: 619.79398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)C5=CCCCC5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)C5=CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C33H37N3O5S2/c37-33(27-18-16-25(17-19-27)24-10-4-1-5-11-24)35-43(40,41)29-20-21-30(32(22-29)36(38)39)34-31(26-12-6-2-7-13-26)23-42-28-14-8-3-9-15-28/h3,8-10,14-22,26,31,34H,1-2,4-7,11-13,23H2,(H,35,37)