[4-[(3-pyrrolidin-1-ylcarbonylphenyl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(3-pyrrolidin-1-ylcarbonylphenyl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[oxo-[[3-[oxo(1-pyrrolidinyl)methyl]phenyl]methylamino]methyl]phenyl] ester IUPAC Name: [4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[3-(pyrrolidine-1-carbonyl)benzyl]carbamoyl]phenyl] ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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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)NCC3=CC=CC(=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=CC=CC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C27H28N2O5S/c1-19-8-9-20(2)25(16-19)35(32,33)34-24-12-10-22(11-13-24)26(30)28-18-21-6-5-7-23(17-21)27(31)29-14-3-4-15-29/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H,28,30)