N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]piperidine-1-carboxamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]piperidine-1-carboxamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]piperidine-1-carboxamide CAS Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-1-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]piperidine-1-carboxamide Traditional Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]piperidine-1-carboxamide Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(CNC(=O)N2CCCCC2)C3=CN=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(CNC(=O)N2CCCCC2)C3=CN=CC=C3)C

InChI

InChI=1S/C21H27N3O3S/c1-16-8-9-19(13-17(16)2)28(26,27)20(18-7-6-10-22-14-18)15-23-21(25)24-11-4-3-5-12-24/h6-10,13-14,20H,3-5,11-12,15H2,1-2H3,(H,23,25)