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

Systemtic Name: N-[(2S)-2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-2-pyridin-3-yl-ethyl]-3-methyl-butanamide Openeye Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(3-pyridyl)ethyl]-3-methyl-butanamide CAS Name: N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-3-methylbutanamide IUPAC Name: N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-methylbutanamide Traditional Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(3-pyridyl)ethyl]-3-methyl-butyramide Formula: C19H23FN2O3S MolecularWeight: 378.460923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C(CNC(=O)CC(C)C)C2=CN=CC=C2)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[C@H](CNC(=O)CC(C)C)C2=CN=CC=C2)F

InChI

InChI=1S/C19H23FN2O3S/c1-13(2)9-19(23)22-12-18(15-5-4-8-21-11-15)26(24,25)16-6-7-17(20)14(3)10-16/h4-8,10-11,13,18H,9,12H2,1-3H3,(H,22,23)/t18-/m1/s1