[4-(2-methylpropylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-(2-methylpropylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(isobutylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(2-methylpropylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(2-methylpropylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(isobutylcarbamoyl)phenyl] ester Formula: C19H23NO4S MolecularWeight: 361.45522

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)NCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4S/c1-13(2)12-20-19(21)16-7-9-17(10-8-16)24-25(22,23)18-11-14(3)5-6-15(18)4/h5-11,13H,12H2,1-4H3,(H,20,21)