N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-[(2S)-2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]piperidine-4-carboxamide CAS Name: N-[(2S)-2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[(2S)-2-(3-pyridyl)-2-tosyl-ethyl]isonipecotamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@H](CNC(=O)C2CCN(CC2)S(=O)(=O)C)C3=CN=CC=C3

InChI

InChI=1S/C21H27N3O5S2/c1-16-5-7-19(8-6-16)31(28,29)20(18-4-3-11-22-14-18)15-23-21(25)17-9-12-24(13-10-17)30(2,26)27/h3-8,11,14,17,20H,9-10,12-13,15H2,1-2H3,(H,23,25)/t20-/m1/s1