[4-[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(2-oxo-2-pyrrolidin-1-yl-ethyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[oxo-[[2-oxo-2-(1-pyrrolidinyl)ethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(2-keto-2-pyrrolidino-ethyl)carbamoyl]phenyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-15-5-6-16(2)19(13-15)29(26,27)28-18-9-7-17(8-10-18)21(25)22-14-20(24)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,25)