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

Systemtic Name: 6-(4-chlorophenyl)-5-methylsulfonyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-(4-chlorophenyl)-5-methylsulfonyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-(4-chlorophenyl)-5-methylsulfonyl-2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-(4-chlorophenyl)-5-methylsulfonyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-(4-chlorophenyl)-5-mesyl-2-[4-[(E)-3-phenylacryloyl]piperazino]nicotinonitrile Formula: C26H23ClN4O3S MolecularWeight: 507.00382

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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)C=CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN4O3S/c1-35(33,34)23-17-21(18-28)26(29-25(23)20-8-10-22(27)11-9-20)31-15-13-30(14-16-31)24(32)12-7-19-5-3-2-4-6-19/h2-12,17H,13-16H2,1H3/b12-7+