[2-[2-(3,4-dimethoxyphenyl)ethanoylamino]phenyl] 4-imidazol-1-yl-3-methyl-butane-1-sulfonate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethanoylamino]phenyl] 4-imidazol-1-yl-3-methyl-butane-1-sulfonate Openeye Name: [2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl] 4-imidazol-1-yl-3-methyl-butane-1-sulfonate CAS Name: 4-(1-imidazolyl)-3-methyl-1-butanesulfonic acid IUPAC Name: [2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl] 4-imidazol-1-yl-3-methylbutane-1-sulfonate Traditional Name: 4-imidazol-1-yl-3-methyl-butane-1-sulfonic acid [2-(homoveratroylamino)phenyl] ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCS(=O)(=O)OC1=CC=CC=C1NC(=O)CC2=CC(=C(C=C2)OC)OC)CN3C=CN=C3

Isomeric SMILES

CC(CCS(=O)(=O)OC1=CC=CC=C1NC(=O)CC2=CC(=C(C=C2)OC)OC)CN3C=CN=C3

InChI

InChI=1S/C24H29N3O6S/c1-18(16-27-12-11-25-17-27)10-13-34(29,30)33-21-7-5-4-6-20(21)26-24(28)15-19-8-9-22(31-2)23(14-19)32-3/h4-9,11-12,14,17-18H,10,13,15-16H2,1-3H3,(H,26,28)