5-chloranyl-4,6-dimethyl-2-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-pyridine-3-carbonitrile

Systemtic Name: 5-chloranyl-4,6-dimethyl-2-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-pyridine-3-carbonitrile Openeye Name: 2-[(4-benzyl-1-piperidyl)sulfonyl]-5-chloro-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 5-chloro-4,6-dimethyl-2-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-3-pyridinecarbonitrile IUPAC Name: 2-(4-benzylpiperidin-1-yl)sulfonyl-5-chloro-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-(4-benzylpiperidino)sulfonyl-5-chloro-4,6-dimethyl-nicotinonitrile Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1Cl)C)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1Cl)C)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H22ClN3O2S/c1-14-18(13-22)20(23-15(2)19(14)21)27(25,26)24-10-8-17(9-11-24)12-16-6-4-3-5-7-16/h3-7,17H,8-12H2,1-2H3