N-[[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methyl]-2,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methyl]-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[[(3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidin-3-yl]methyl]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[[(3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]methyl]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[[(3S)-5-keto-1-p-phenetyl-pyrrolidin-3-yl]methyl]-2,5-dimethyl-benzenesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-4-27-19-9-7-18(8-10-19)23-14-17(12-21(23)24)13-22-28(25,26)20-11-15(2)5-6-16(20)3/h5-11,17,22H,4,12-14H2,1-3H3/t17-/m1/s1