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

Systemtic Name: 1-(5-chloranyl-6-propan-2-ylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid Openeye Name: 1-(5-chloro-6-isopropylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid CAS Name: 1-(5-chloro-6-propan-2-ylsulfonyl-1H-benzimidazol-2-yl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(5-chloro-6-propan-2-ylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid Traditional Name: 1-(5-chloro-6-isopropylsulfonyl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid Formula: C14H13ClN4O4S MolecularWeight: 368.79542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=C2C(=C1)NC(=N2)N3C=C(C=N3)C(=O)O)Cl

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C2C(=C1)NC(=N2)N3C=C(C=N3)C(=O)O)Cl

InChI

InChI=1S/C14H13ClN4O4S/c1-7(2)24(22,23)12-4-11-10(3-9(12)15)17-14(18-11)19-6-8(5-16-19)13(20)21/h3-7H,1-2H3,(H,17,18)(H,20,21)