[4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[oxo-[3-(2-oxo-1-pyrrolidinyl)propylamino]methyl]phenyl] ester IUPAC Name: [4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[3-(2-ketopyrrolidino)propylcarbamoyl]phenyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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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)NCCCN3CCCC3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCCCN3CCCC3=O

InChI

InChI=1S/C22H26N2O5S/c1-16-6-7-17(2)20(15-16)30(27,28)29-19-10-8-18(9-11-19)22(26)23-12-4-14-24-13-3-5-21(24)25/h6-11,15H,3-5,12-14H2,1-2H3,(H,23,26)