1-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[[6-[4-(1-imidazolyl)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]amino]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoyl]proline Formula: C22H20N6O6S MolecularWeight: 496.4958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)N5C=CN=C5)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)N5C=CN=C5)C(=O)O

InChI

InChI=1S/C22H20N6O6S/c29-20(30)19-2-1-10-28(19)22(31)26-21-24-17-8-5-15(12-18(17)25-21)34-35(32,33)16-6-3-14(4-7-16)27-11-9-23-13-27/h3-9,11-13,19H,1-2,10H2,(H,29,30)(H2,24,25,26,31)