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

Systemtic Name: 6-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-pyridine-3-carbonitrile Openeye Name: 6-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-pyridine-3-carbonitrile CAS Name: 6-(4-chlorophenyl)-2-(4-methyl-1-piperazinyl)-5-methylsulfonyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-methylsulfonylpyridine-3-carbonitrile Traditional Name: 6-(4-chlorophenyl)-5-mesyl-2-(4-methylpiperazino)nicotinonitrile Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=C(C=C2C#N)S(=O)(=O)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1CCN(CC1)C2=NC(=C(C=C2C#N)S(=O)(=O)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN4O2S/c1-22-7-9-23(10-8-22)18-14(12-20)11-16(26(2,24)25)17(21-18)13-3-5-15(19)6-4-13/h3-6,11H,7-10H2,1-2H3