[2-oxidanylidene-1-[[4-(phenylsulfonylamino)phenyl]methyl]pyrrolidin-1-ium-1-yl] methanesulfonate

Systemtic Name: [2-oxidanylidene-1-[[4-(phenylsulfonylamino)phenyl]methyl]pyrrolidin-1-ium-1-yl] methanesulfonate Openeye Name: [1-[[4-(benzenesulfonamido)phenyl]methyl]-2-oxo-pyrrolidin-1-ium-1-yl] methanesulfonate CAS Name: methanesulfonic acid [1-[[4-(benzenesulfonamido)phenyl]methyl]-2-oxo-1-pyrrolidin-1-iumyl] ester IUPAC Name: [1-[[4-(benzenesulfonamido)phenyl]methyl]-2-oxopyrrolidin-1-ium-1-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-[4-(benzenesulfonamido)benzyl]-2-keto-pyrrolidin-1-ium-1-yl] ester Formula: C18H21N2O6S2+ MolecularWeight: 425.49914

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O[N+]1(CCCC1=O)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)O[N+]1(CCCC1=O)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N2O6S2/c1-27(22,23)26-20(13-5-8-18(20)21)14-15-9-11-16(12-10-15)19-28(24,25)17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-14H2,1H3/q+1