[4-[[4-(1-methylimidazol-2-yl)carbonylphenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[[4-(1-methylimidazol-2-yl)carbonylphenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[4-(1-methylimidazole-2-carbonyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[4-[(1-methyl-2-imidazolyl)-oxomethyl]anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[4-(1-methylimidazole-2-carbonyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[4-(1-methylimidazole-2-carbonyl)phenyl]carbamoyl]phenyl] ester Formula: C26H23N3O5S MolecularWeight: 489.54292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)C4=NC=CN4C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)C4=NC=CN4C

InChI

InChI=1S/C26H23N3O5S/c1-17-4-5-18(2)23(16-17)35(32,33)34-22-12-8-20(9-13-22)26(31)28-21-10-6-19(7-11-21)24(30)25-27-14-15-29(25)3/h4-16H,1-3H3,(H,28,31)