N-[(2S)-1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]-2-fluoranyl-benzenesulfonamide

Systemtic Name: N-[(2S)-1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]-2-fluoranyl-benzenesulfonamide Openeye Name: N-[(1S)-2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]-2-fluoro-benzenesulfonamide CAS Name: N-[(2S)-1-[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidinyl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide IUPAC Name: N-[(2S)-1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide Traditional Name: 2-fluoro-N-[(1S)-2-keto-1-methyl-2-[(2R)-2-p-phenetylpyrrolidino]ethyl]benzenesulfonamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2C(=O)C(C)NS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCCN2C(=O)[C@H](C)NS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H25FN2O4S/c1-3-28-17-12-10-16(11-13-17)19-8-6-14-24(19)21(25)15(2)23-29(26,27)20-9-5-4-7-18(20)22/h4-5,7,9-13,15,19,23H,3,6,8,14H2,1-2H3/t15-,19+/m0/s1