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

Systemtic Name: N-[(2S)-2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-2-pyridin-3-yl-ethyl]butanamide Openeye Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(3-pyridyl)ethyl]butanamide CAS Name: N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]butanamide IUPAC Name: N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butanamide Traditional Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(3-pyridyl)ethyl]butyramide Formula: C18H21FN2O3S MolecularWeight: 364.434343

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC(C1=CN=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)F)C

Isomeric SMILES

CCCC(=O)NC[C@H](C1=CN=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)F)C

InChI

InChI=1S/C18H21FN2O3S/c1-3-5-18(22)21-12-17(14-6-4-9-20-11-14)25(23,24)15-7-8-16(19)13(2)10-15/h4,6-11,17H,3,5,12H2,1-2H3,(H,21,22)/t17-/m1/s1