4-[5-chloranyl-1-[(4-methylphenyl)-sulfooxy-methyl]benzimidazol-2-yl]-3,3-dimethyl-butanoic acid

Systemtic Name: 4-[5-chloranyl-1-[(4-methylphenyl)-sulfooxy-methyl]benzimidazol-2-yl]-3,3-dimethyl-butanoic acid Openeye Name: 4-[5-chloro-1-[p-tolyl(sulfooxy)methyl]benzimidazol-2-yl]-3,3-dimethyl-butanoic acid CAS Name: 4-[5-chloro-1-[(4-methylphenyl)-sulfooxymethyl]-2-benzimidazolyl]-3,3-dimethylbutanoic acid IUPAC Name: 4-[5-chloro-1-[(4-methylphenyl)-sulfooxymethyl]benzimidazol-2-yl]-3,3-dimethylbutanoic acid Traditional Name: 4-[5-chloro-1-[p-tolyl(sulfoxy)methyl]benzimidazol-2-yl]-3,3-dimethyl-butyric acid Formula: C21H23ClN2O6S MolecularWeight: 466.93512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(N2C3=C(C=C(C=C3)Cl)N=C2CC(C)(C)CC(=O)O)OS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(N2C3=C(C=C(C=C3)Cl)N=C2CC(C)(C)CC(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C21H23ClN2O6S/c1-13-4-6-14(7-5-13)20(30-31(27,28)29)24-17-9-8-15(22)10-16(17)23-18(24)11-21(2,3)12-19(25)26/h4-10,20H,11-12H2,1-3H3,(H,25,26)(H,27,28,29)