6-(4-chlorophenyl)-5-methylsulfonyl-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-chlorophenyl)-5-methylsulfonyl-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)pyridine-3-carbonitrile Openeye Name: 6-(4-chlorophenyl)-5-methylsulfonyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-(4-chlorophenyl)-5-methylsulfonyl-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-(4-chlorophenyl)-5-methylsulfonyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-(4-chlorophenyl)-5-mesyl-2-[4-(2-thenoyl)piperazino]nicotinonitrile Formula: C22H19ClN4O3S2 MolecularWeight: 486.99426

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)C3=CC=CS3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)C3=CC=CS3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O3S2/c1-32(29,30)19-13-16(14-24)21(25-20(19)15-4-6-17(23)7-5-15)26-8-10-27(11-9-26)22(28)18-3-2-12-31-18/h2-7,12-13H,8-11H2,1H3