dimethyl 5-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(1H-benzimidazol-2-yl)-1-piperidyl]sulfonyl]benzene-1,3-dicarboxylate CAS Name: 5-[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Traditional Name: 5-[4-(1H-benzimidazol-2-yl)piperidino]sulfonylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3)C(=O)OC

InChI

InChI=1S/C22H23N3O6S/c1-30-21(26)15-11-16(22(27)31-2)13-17(12-15)32(28,29)25-9-7-14(8-10-25)20-23-18-5-3-4-6-19(18)24-20/h3-6,11-14H,7-10H2,1-2H3,(H,23,24)