[4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[2-(2-methylthiazol-4-yl)ethylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[2-(2-methyl-4-thiazolyl)ethylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[2-(2-methylthiazol-4-yl)ethylcarbamoyl]phenyl] ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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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)NCCC3=CSC(=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCCC3=CSC(=N3)C

InChI

InChI=1S/C21H22N2O4S2/c1-14-4-5-15(2)20(12-14)29(25,26)27-19-8-6-17(7-9-19)21(24)22-11-10-18-13-28-16(3)23-18/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)