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

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 3,4-dimethylbenzenesulfonate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 3,4-dimethylbenzenesulfonate CAS Name: 3,4-dimethylbenzenesulfonic acid [4-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 3,4-dimethylbenzenesulfonate Traditional Name: 3,4-dimethylbenzenesulfonic acid [4-(2-ketopyrrolidino)phenyl] ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N3CCCC3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N3CCCC3=O)C

InChI

InChI=1S/C18H19NO4S/c1-13-5-10-17(12-14(13)2)24(21,22)23-16-8-6-15(7-9-16)19-11-3-4-18(19)20/h5-10,12H,3-4,11H2,1-2H3