N-[(2S)-2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-2-pyridin-3-yl-ethyl]cyclohexanecarboxamide

Systemtic Name: N-[(2S)-2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-2-pyridin-3-yl-ethyl]cyclohexanecarboxamide Openeye Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(3-pyridyl)ethyl]cyclohexanecarboxamide CAS Name: N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]cyclohexanecarboxamide IUPAC Name: N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclohexanecarboxamide Traditional Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(3-pyridyl)ethyl]cyclohexanecarboxamide Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C(CNC(=O)C2CCCCC2)C3=CN=CC=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[C@H](CNC(=O)C2CCCCC2)C3=CN=CC=C3)F

InChI

InChI=1S/C21H25FN2O3S/c1-15-12-18(9-10-19(15)22)28(26,27)20(17-8-5-11-23-13-17)14-24-21(25)16-6-3-2-4-7-16/h5,8-13,16,20H,2-4,6-7,14H2,1H3,(H,24,25)/t20-/m1/s1