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

Systemtic Name: N-[(2S)-2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2-phenyl-ethanesulfonamide Openeye Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(3-pyridyl)ethyl]-2-phenyl-ethanesulfonamide CAS Name: N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-2-phenylethanesulfonamide IUPAC Name: N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylethanesulfonamide Traditional Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(3-pyridyl)ethyl]-2-phenyl-ethanesulfonamide Formula: C22H23FN2O4S2 MolecularWeight: 462.557423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C(CNS(=O)(=O)CCC2=CC=CC=C2)C3=CN=CC=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[C@H](CNS(=O)(=O)CCC2=CC=CC=C2)C3=CN=CC=C3)F

InChI

InChI=1S/C22H23FN2O4S2/c1-17-14-20(9-10-21(17)23)31(28,29)22(19-8-5-12-24-15-19)16-25-30(26,27)13-11-18-6-3-2-4-7-18/h2-10,12,14-15,22,25H,11,13,16H2,1H3/t22-/m1/s1