[2-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [2-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [2-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [2-[[2-(4-chlorophenyl)ethylamino]-oxomethyl]phenyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [2-[2-(4-chlorophenyl)ethylcarbamoyl]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=CC=C2C(=O)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H22ClNO4S/c1-16-7-8-17(2)22(15-16)30(27,28)29-21-6-4-3-5-20(21)23(26)25-14-13-18-9-11-19(24)12-10-18/h3-12,15H,13-14H2,1-2H3,(H,25,26)