N-[(2S)-2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-2-pyridin-3-yl-ethyl]butane-1-sulfonamide

Systemtic Name: N-[(2S)-2-(4-fluoranyl-3-methyl-phenyl)sulfonyl-2-pyridin-3-yl-ethyl]butane-1-sulfonamide Openeye Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(3-pyridyl)ethyl]butane-1-sulfonamide CAS Name: N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-1-butanesulfonamide IUPAC Name: N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide Traditional Name: N-[(2S)-2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(3-pyridyl)ethyl]butane-1-sulfonamide Formula: C18H23FN2O4S2 MolecularWeight: 414.514623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23FN2O4S2/c1-3-4-10-26(22,23)21-13-18(15-6-5-9-20-12-15)27(24,25)16-7-8-17(19)14(2)11-16/h5-9,11-12,18,21H,3-4,10,13H2,1-2H3/t18-/m1/s1