3-cyano-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 3-cyano-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 3-cyano-N-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]-N-(3-pyridylmethyl)benzamide CAS Name: 3-cyano-N-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3-cyano-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 3-cyano-N-[1-(2-mesylbenzyl)-4-piperidyl]-N-(3-pyridylmethyl)benzamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N(CC3=CN=CC=C3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N(CC3=CN=CC=C3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H28N4O3S/c1-35(33,34)26-10-3-2-8-24(26)20-30-14-11-25(12-15-30)31(19-22-7-5-13-29-18-22)27(32)23-9-4-6-21(16-23)17-28/h2-10,13,16,18,25H,11-12,14-15,19-20H2,1H3