methyl 2-[4-(benzimidazol-1-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(benzimidazol-1-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(benzimidazol-1-ylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(1-benzimidazolylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(benzimidazol-1-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(benzimidazol-1-ylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NN3C=NC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NN3C=NC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O5S/c1-30-21(27)16-6-2-5-9-19(16)31(28,29)24-12-10-15(11-13-24)20(26)23-25-14-22-17-7-3-4-8-18(17)25/h2-9,14-15H,10-13H2,1H3,(H,23,26)