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

Systemtic Name: 1-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoyl]piperidine-4-carboxylic acid Openeye Name: 1-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoyl]piperidine-4-carboxylic acid CAS Name: 1-[[[6-[4-(1-imidazolyl)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]amino]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoyl]piperidine-4-carboxylic acid Traditional Name: 1-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoyl]isonipecotic acid Formula: C23H22N6O6S MolecularWeight: 510.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C23H22N6O6S/c30-21(31)15-7-10-28(11-8-15)23(32)27-22-25-19-6-3-17(13-20(19)26-22)35-36(33,34)18-4-1-16(2-5-18)29-12-9-24-14-29/h1-6,9,12-15H,7-8,10-11H2,(H,30,31)(H2,25,26,27,32)