6-(4-chlorophenyl)-5-methylsulfonyl-2-[4-(phenylsulfonyl)piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-(4-chlorophenyl)-5-methylsulfonyl-2-[4-(phenylsulfonyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-6-(4-chlorophenyl)-5-methylsulfonyl-pyridine-3-carbonitrile CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-6-(4-chlorophenyl)-5-methylsulfonyl-3-pyridinecarbonitrile IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-6-(4-chlorophenyl)-5-methylsulfonylpyridine-3-carbonitrile Traditional Name: 2-(4-besylpiperazino)-6-(4-chlorophenyl)-5-mesyl-nicotinonitrile Formula: C23H21ClN4O4S2 MolecularWeight: 517.02024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN4O4S2/c1-33(29,30)21-15-18(16-25)23(26-22(21)17-7-9-19(24)10-8-17)27-11-13-28(14-12-27)34(31,32)20-5-3-2-4-6-20/h2-10,15H,11-14H2,1H3