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

Systemtic Name: [4-[(2-chloranyl-4,6-dimethyl-phenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(2-chloro-4,6-dimethyl-phenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(2-chloro-4,6-dimethylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-chloro-4,6-dimethylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(2-chloro-4,6-dimethyl-phenyl)carbamoyl]phenyl] ester Formula: C23H22ClNO4S MolecularWeight: 443.94308

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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=C(C=C3Cl)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3Cl)C)C

InChI

InChI=1S/C23H22ClNO4S/c1-14-5-6-16(3)21(13-14)30(27,28)29-19-9-7-18(8-10-19)23(26)25-22-17(4)11-15(2)12-20(22)24/h5-13H,1-4H3,(H,25,26)