1-[5-chloranyl-6-(4-methoxyphenyl)sulfonyl-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[5-chloranyl-6-(4-methoxyphenyl)sulfonyl-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[5-chloro-6-(4-methoxyphenyl)sulfonyl-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid CAS Name: 1-[5-chloro-6-(4-methoxyphenyl)sulfonyl-1H-benzimidazol-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[5-chloro-6-(4-methoxyphenyl)sulfonyl-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[5-chloro-6-(4-methoxyphenyl)sulfonyl-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Formula: C18H13ClN4O5S MolecularWeight: 432.83762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C3C(=C2)NC(=N3)N4C=C(C=N4)C(=O)O)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C3C(=C2)NC(=N3)N4C=C(C=N4)C(=O)O)Cl

InChI

InChI=1S/C18H13ClN4O5S/c1-28-11-2-4-12(5-3-11)29(26,27)16-7-15-14(6-13(16)19)21-18(22-15)23-9-10(8-20-23)17(24)25/h2-9H,1H3,(H,21,22)(H,24,25)