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

Systemtic Name: [4-[(3,5-dimethoxyphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(3,5-dimethoxyphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(3,5-dimethoxyanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(3,5-dimethoxyphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(3,5-dimethoxyphenyl)carbamoyl]phenyl] ester Formula: C23H23NO6S MolecularWeight: 441.49682

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO6S/c1-15-5-6-16(2)22(11-15)31(26,27)30-19-9-7-17(8-10-19)23(25)24-18-12-20(28-3)14-21(13-18)29-4/h5-14H,1-4H3,(H,24,25)