1-(5-chloranyl-6-phenethylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(5-chloranyl-6-phenethylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid Openeye Name: 1-(5-chloro-6-phenethylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid CAS Name: 1-(5-chloro-6-phenethylsulfonyl-1H-benzimidazol-2-yl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(5-chloro-6-phenethylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid Traditional Name: 1-(5-chloro-6-phenethylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid Formula: C19H15ClN4O4S MolecularWeight: 430.8648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN4O4S/c20-14-8-15-16(23-19(22-15)24-11-13(10-21-24)18(25)26)9-17(14)29(27,28)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,22,23)(H,25,26)