[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 4-methylsulfonylbenzenesulfonate

Systemtic Name: [3-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 4-methylsulfonylbenzenesulfonate Openeye Name: [3-(2-oxopyrrolidin-1-yl)phenyl] 4-methylsulfonylbenzenesulfonate CAS Name: 4-methylsulfonylbenzenesulfonic acid [3-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [3-(2-oxopyrrolidin-1-yl)phenyl] 4-methylsulfonylbenzenesulfonate Traditional Name: 4-mesylbenzenesulfonic acid [3-(2-ketopyrrolidino)phenyl] ester Formula: C17H17NO6S2 MolecularWeight: 395.44998

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)N3CCCC3=O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)N3CCCC3=O

InChI

InChI=1S/C17H17NO6S2/c1-25(20,21)15-7-9-16(10-8-15)26(22,23)24-14-5-2-4-13(12-14)18-11-3-6-17(18)19/h2,4-5,7-10,12H,3,6,11H2,1H3