N-[(2S)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzenesulfonamide

Systemtic Name: N-[(2S)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzenesulfonamide Openeye Name: N-[(1S)-1-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-3-methylsulfanyl-propyl]-2-fluoro-benzenesulfonamide CAS Name: N-[(2S)-1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-4-(methylthio)-1-oxobutan-2-yl]-2-fluorobenzenesulfonamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-fluorobenzenesulfonamide Traditional Name: N-[(1S)-1-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-3-(methylthio)propyl]-2-fluoro-benzenesulfonamide Formula: C23H26FN3O4S2 MolecularWeight: 491.598643

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3O2)NS(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3O2)NS(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C23H26FN3O4S2/c1-32-15-12-19(26-33(29,30)21-9-5-2-6-17(21)24)23(28)27-13-10-16(11-14-27)22-25-18-7-3-4-8-20(18)31-22/h2-9,16,19,26H,10-15H2,1H3/t19-/m0/s1