2-[(2,5-dimethylphenyl)sulfonylmethyl]-1-ethyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[(2,5-dimethylphenyl)sulfonylmethyl]-1-ethyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[(2,5-dimethylphenyl)sulfonylmethyl]-1-ethyl-benzimidazole-5-carboxylic acid CAS Name: 2-[(2,5-dimethylphenyl)sulfonylmethyl]-1-ethyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[(2,5-dimethylphenyl)sulfonylmethyl]-1-ethylbenzimidazole-5-carboxylic acid Traditional Name: 2-[(2,5-dimethylphenyl)sulfonylmethyl]-1-ethyl-benzimidazole-5-carboxylic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CS(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CS(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C19H20N2O4S/c1-4-21-16-8-7-14(19(22)23)10-15(16)20-18(21)11-26(24,25)17-9-12(2)5-6-13(17)3/h5-10H,4,11H2,1-3H3,(H,22,23)