2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-methylsulfonyl-benzimidazole-4-carboxylic acid

Systemtic Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-methylsulfonyl-benzimidazole-4-carboxylic acid Openeye Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1-methylsulfonyl-benzimidazole-4-carboxylic acid CAS Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-methylsulfonyl-4-benzimidazolecarboxylic acid IUPAC Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-methylsulfonylbenzimidazole-4-carboxylic acid Traditional Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1-mesyl-benzimidazole-4-carboxylic acid Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=NC3=C(C=CC=C3N2S(=O)(=O)C)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=NC3=C(C=CC=C3N2S(=O)(=O)C)C(=O)O)OC

InChI

InChI=1S/C19H18N2O6S/c1-26-15-9-7-12(11-16(15)27-2)8-10-17-20-18-13(19(22)23)5-4-6-14(18)21(17)28(3,24)25/h4-11H,1-3H3,(H,22,23)/b10-8+