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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=NC=C3

InChI

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