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

Systemtic Name: 1-[5-chloranyl-6-(phenylsulfonyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[6-(benzenesulfonyl)-5-chloro-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid CAS Name: 1-[6-(benzenesulfonyl)-5-chloro-1H-benzimidazol-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[6-(benzenesulfonyl)-5-chloro-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-(6-besyl-5-chloro-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid Formula: C17H11ClN4O4S MolecularWeight: 402.81164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=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/C17H11ClN4O4S/c18-12-6-13-14(7-15(12)27(25,26)11-4-2-1-3-5-11)21-17(20-13)22-9-10(8-19-22)16(23)24/h1-9H,(H,20,21)(H,23,24)