1-[(2-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(2-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(o-tolylmethylsulfonyl)-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[(2-methylphenyl)methylsulfonyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[(2-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(2-methylbenzyl)sulfonyl-N-(3-pyridylmethyl)isonipecotamide Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-16-5-2-3-7-19(16)15-27(25,26)23-11-8-18(9-12-23)20(24)22-14-17-6-4-10-21-13-17/h2-7,10,13,18H,8-9,11-12,14-15H2,1H3,(H,22,24)