N-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]methyl]-4-bromanyl-benzenesulfonamide

Systemtic Name: N-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]methyl]-4-bromanyl-benzenesulfonamide Openeye Name: N-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidin-3-yl]methyl]-4-bromo-benzenesulfonamide CAS Name: N-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]methyl]-4-bromobenzenesulfonamide IUPAC Name: N-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-4-bromobenzenesulfonamide Traditional Name: N-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidin-3-yl]methyl]-4-bromo-benzenesulfonamide Formula: C18H17BrN2O5S MolecularWeight: 453.30698

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC3=C(C=C2)OCO3)CNS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1[C@@H](CN(C1=O)C2=CC3=C(C=C2)OCO3)CNS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H17BrN2O5S/c19-13-1-4-15(5-2-13)27(23,24)20-9-12-7-18(22)21(10-12)14-3-6-16-17(8-14)26-11-25-16/h1-6,8,12,20H,7,9-11H2/t12-/m1/s1