(3-imidazol-1-yl-2-methyl-propyl) 1-azanyl-3-(3,4-dimethoxyphenyl)-2-oxidanylidene-1-phenyl-propane-1-sulfonate

Systemtic Name: (3-imidazol-1-yl-2-methyl-propyl) 1-azanyl-3-(3,4-dimethoxyphenyl)-2-oxidanylidene-1-phenyl-propane-1-sulfonate Openeye Name: (3-imidazol-1-yl-2-methyl-propyl) 1-amino-3-(3,4-dimethoxyphenyl)-2-oxo-1-phenyl-propane-1-sulfonate CAS Name: 1-amino-3-(3,4-dimethoxyphenyl)-2-oxo-1-phenyl-1-propanesulfonic acid IUPAC Name: (3-imidazol-1-yl-2-methylpropyl) 1-amino-3-(3,4-dimethoxyphenyl)-2-oxo-1-phenylpropane-1-sulfonate Traditional Name: 1-amino-3-(3,4-dimethoxyphenyl)-2-keto-1-phenyl-propane-1-sulfonic acid (3-imidazol-1-yl-2-methyl-propyl) ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CN=C1)COS(=O)(=O)C(C2=CC=CC=C2)(C(=O)CC3=CC(=C(C=C3)OC)OC)N

Isomeric SMILES

CC(CN1C=CN=C1)COS(=O)(=O)C(C2=CC=CC=C2)(C(=O)CC3=CC(=C(C=C3)OC)OC)N

InChI

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