2-(4-methylphenyl)sulfonylethyl 3-[4-(5-methoxy-2-sulfanyl-benzimidazol-2-yl)sulfonyl-3,5-dimethyl-phenoxy]-2,2-dimethyl-propanoate

Systemtic Name: 2-(4-methylphenyl)sulfonylethyl 3-[4-(5-methoxy-2-sulfanyl-benzimidazol-2-yl)sulfonyl-3,5-dimethyl-phenoxy]-2,2-dimethyl-propanoate Openeye Name: 2-(p-tolylsulfonyl)ethyl 3-[4-(5-methoxy-2-sulfanyl-benzimidazol-2-yl)sulfonyl-3,5-dimethyl-phenoxy]-2,2-dimethyl-propanoate CAS Name: 3-[4-[(2-mercapto-5-methoxy-2-benzimidazolyl)sulfonyl]-3,5-dimethylphenoxy]-2,2-dimethylpropanoic acid 2-(4-methylphenyl)sulfonylethyl ester IUPAC Name: 2-(4-methylphenyl)sulfonylethyl 3-[4-(5-methoxy-2-sulfanylbenzimidazol-2-yl)sulfonyl-3,5-dimethylphenoxy]-2,2-dimethylpropanoate Traditional Name: 3-[4-(2-mercapto-5-methoxy-benzimidazol-2-yl)sulfonyl-3,5-dimethyl-phenoxy]-2,2-dimethyl-propionic acid 2-tosylethyl ester Formula: C30H34N2O8S3 MolecularWeight: 646.79456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCOC(=O)C(C)(C)COC2=CC(=C(C(=C2)C)S(=O)(=O)C3(N=C4C=CC(=CC4=N3)OC)S)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCOC(=O)C(C)(C)COC2=CC(=C(C(=C2)C)S(=O)(=O)C3(N=C4C=CC(=CC4=N3)OC)S)C

InChI

InChI=1S/C30H34N2O8S3/c1-19-7-10-24(11-8-19)42(34,35)14-13-39-28(33)29(4,5)18-40-23-15-20(2)27(21(3)16-23)43(36,37)30(41)31-25-12-9-22(38-6)17-26(25)32-30/h7-12,15-17,41H,13-14,18H2,1-6H3