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

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-(3-pyridyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-(3-pyridyl)ethyl]isonipecotamide Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C)C3=CN=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)[C@H](CNC(=O)C2CCN(CC2)S(=O)(=O)C)C3=CN=CC=C3

InChI

InChI=1S/C21H27N3O6S2/c1-30-18-5-7-19(8-6-18)32(28,29)20(17-4-3-11-22-14-17)15-23-21(25)16-9-12-24(13-10-16)31(2,26)27/h3-8,11,14,16,20H,9-10,12-13,15H2,1-2H3,(H,23,25)/t20-/m1/s1