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

Systemtic Name: [4-[(2-ethylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(2-ethylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(2-ethylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-ethylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(2-ethylphenyl)carbamoyl]phenyl] ester Formula: C23H23NO4S MolecularWeight: 409.49802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C23H23NO4S/c1-4-18-7-5-6-8-21(18)24-23(25)19-11-13-20(14-12-19)28-29(26,27)22-15-16(2)9-10-17(22)3/h5-15H,4H2,1-3H3,(H,24,25)