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

Systemtic Name: 2-[4-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[2-methyl-5-(1-piperidylsulfonyl)benzoyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(2-methyl-5-piperidinosulfonyl-benzoyl)piperazino]isonicotinonitrile Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C23H27N5O3S/c1-18-5-6-20(32(30,31)28-9-3-2-4-10-28)16-21(18)23(29)27-13-11-26(12-14-27)22-15-19(17-24)7-8-25-22/h5-8,15-16H,2-4,9-14H2,1H3