[4-[(2,6-dimethylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(2,6-dimethylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(2,6-dimethylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(2,6-dimethylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,6-dimethylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(2,6-dimethylphenyl)carbamoyl]phenyl] ester Formula: C23H23NO4S MolecularWeight: 409.49802

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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=C(C=CC=C3C)C

Isomeric SMILES

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

InChI

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