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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCS(=O)(=O)O)C(C1=CC=C(C=C1)NC(=O)CC2=CC(=C(C=C2)OC)OC)N3C=CN=C3

Isomeric SMILES

CC(CCS(=O)(=O)O)C(C1=CC=C(C=C1)NC(=O)CC2=CC(=C(C=C2)OC)OC)N3C=CN=C3

InChI

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