[4-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[oxo-[4-[oxo(1-pyrrolidinyl)methyl]anilino]methyl]phenyl] ester IUPAC Name: [4-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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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)NC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C26H26N2O5S/c1-18-5-6-19(2)24(17-18)34(31,32)33-23-13-9-20(10-14-23)25(29)27-22-11-7-21(8-12-22)26(30)28-15-3-4-16-28/h5-14,17H,3-4,15-16H2,1-2H3,(H,27,29)