[4-[(3-acetamidophenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(3-acetamidophenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(3-acetamidophenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(3-acetamidoanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(3-acetamidophenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(3-acetamidophenyl)carbamoyl]phenyl] ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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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(=CC=C3)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5S/c1-15-7-8-16(2)22(13-15)31(28,29)30-21-11-9-18(10-12-21)23(27)25-20-6-4-5-19(14-20)24-17(3)26/h4-14H,1-3H3,(H,24,26)(H,25,27)