[4-[[2-(cyclopentylcarbamoyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[[2-(cyclopentylcarbamoyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[2-(cyclopentylcarbamoyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[2-[(cyclopentylamino)-oxomethyl]anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[2-(cyclopentylcarbamoyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[2-(cyclopentylcarbamoyl)phenyl]carbamoyl]phenyl] ester Formula: C27H28N2O5S MolecularWeight: 492.58662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NC4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NC4CCCC4

InChI

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