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

Systemtic Name: N-[[(3S)-1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[[(3S)-1-(4-methoxyphenyl)-5-oxo-pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[[(3S)-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[[(3S)-5-keto-1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC(CC2=O)CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=C(C=C1)N2C[C@H](CC2=O)CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H22N2O6S/c1-26-16-4-2-15(3-5-16)22-13-14(10-20(22)23)12-21-29(24,25)17-6-7-18-19(11-17)28-9-8-27-18/h2-7,11,14,21H,8-10,12-13H2,1H3/t14-/m1/s1