[4-[(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(3-oxo-3-pyrrolidin-1-yl-propyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[oxo-[[3-oxo-3-(1-pyrrolidinyl)propyl]amino]methyl]phenyl] ester IUPAC Name: [4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(3-keto-3-pyrrolidino-propyl)carbamoyl]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)NCCC(=O)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-16-5-6-17(2)20(15-16)30(27,28)29-19-9-7-18(8-10-19)22(26)23-12-11-21(25)24-13-3-4-14-24/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,26)