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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C)C

InChI

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