N-[[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methyl]-3-fluoranyl-benzenesulfonamide

Systemtic Name: N-[[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methyl]-3-fluoranyl-benzenesulfonamide Openeye Name: N-[[(3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidin-3-yl]methyl]-3-fluoro-benzenesulfonamide CAS Name: N-[[(3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]methyl]-3-fluorobenzenesulfonamide IUPAC Name: N-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-fluorobenzenesulfonamide Traditional Name: 3-fluoro-N-[[(3S)-5-keto-1-p-phenetyl-pyrrolidin-3-yl]methyl]benzenesulfonamide Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)CNS(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)CNS(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C19H21FN2O4S/c1-2-26-17-8-6-16(7-9-17)22-13-14(10-19(22)23)12-21-27(24,25)18-5-3-4-15(20)11-18/h3-9,11,14,21H,2,10,12-13H2,1H3/t14-/m1/s1