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

Systemtic Name: 1-[5-chloranyl-6-[(4-methoxyphenyl)methylsulfonyl]-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[5-chloro-6-[(4-methoxyphenyl)methylsulfonyl]-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid CAS Name: 1-[5-chloro-6-[(4-methoxyphenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[5-chloro-6-[(4-methoxyphenyl)methylsulfonyl]-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-(5-chloro-6-p-anisylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid Formula: C19H15ClN4O5S MolecularWeight: 446.8642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN4O5S/c1-29-13-4-2-11(3-5-13)10-30(27,28)17-7-16-15(6-14(17)20)22-19(23-16)24-9-12(8-21-24)18(25)26/h2-9H,10H2,1H3,(H,22,23)(H,25,26)