N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-4-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-4-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide Openeye Name: N-[1-[(3-cyanophenyl)methyl]-4-piperidyl]-4-methylsulfonyl-N-(3-pyridylmethyl)benzamide CAS Name: N-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]-4-methylsulfonyl-N-(3-pyridinylmethyl)benzamide IUPAC Name: N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-4-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide Traditional Name: N-[1-(3-cyanobenzyl)-4-piperidyl]-4-mesyl-N-(3-pyridylmethyl)benzamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

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