4-(4-cyclohexylcarbonylpiperazin-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4-cyclohexylcarbonylpiperazin-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[4-(cyclohexanecarbonyl)piperazino]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C32H37N5O6S2 MolecularWeight: 651.79608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H37N5O6S2/c38-31(24-11-13-26(14-12-24)35-18-20-36(21-19-35)32(39)25-7-3-1-4-8-25)34-45(42,43)28-15-16-29(30(23-28)37(40)41)33-17-22-44-27-9-5-2-6-10-27/h2,5-6,9-16,23,25,33H,1,3-4,7-8,17-22H2,(H,34,38)