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

Systemtic Name: N-[(2S)-2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-2-pyridin-3-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(3-pyridyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(3-pyridyl)ethyl]-1-mesyl-isonipecotamide Formula: C21H26FN3O5S2 MolecularWeight: 483.576643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O5S2/c1-15-12-18(5-6-19(15)22)32(29,30)20(17-4-3-9-23-13-17)14-24-21(26)16-7-10-25(11-8-16)31(2,27)28/h3-6,9,12-13,16,20H,7-8,10-11,14H2,1-2H3,(H,24,26)/t20-/m1/s1