2-[4-(2-methyl-5-methylsulfonyl-phenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(2-methyl-5-methylsulfonyl-phenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(2-methyl-5-methylsulfonyl-benzoyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(2-methyl-5-methylsulfonylphenyl)-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(2-methyl-5-methylsulfonylbenzoyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(5-mesyl-2-methyl-benzoyl)piperazino]isonicotinonitrile Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C19H20N4O3S/c1-14-3-4-16(27(2,25)26)12-17(14)19(24)23-9-7-22(8-10-23)18-11-15(13-20)5-6-21-18/h3-6,11-12H,7-10H2,1-2H3