N-[[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[[(3S)-5-oxo-1-(p-tolyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[[(3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[[(3S)-5-keto-1-(p-tolyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H22N2O5S/c1-14-2-4-16(5-3-14)22-13-15(10-20(22)23)12-21-28(24,25)17-6-7-18-19(11-17)27-9-8-26-18/h2-7,11,15,21H,8-10,12-13H2,1H3/t15-/m1/s1