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

Systemtic Name: methyl 2-[4-(1H-benzimidazol-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(1H-benzimidazol-2-ylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(1H-benzimidazol-2-ylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(1H-benzimidazol-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(1H-benzimidazol-2-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)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4N3

InChI

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