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

Systemtic Name: N-[[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[[(3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[[(3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[[(3S)-5-keto-1-p-phenetyl-pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N2O6S/c1-2-27-17-5-3-16(4-6-17)23-14-15(11-21(23)24)13-22-30(25,26)18-7-8-19-20(12-18)29-10-9-28-19/h3-8,12,15,22H,2,9-11,13-14H2,1H3/t15-/m1/s1