methyl 4-[4-(5-methylsulfonyl-2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[4-(5-methylsulfonyl-2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate Openeye Name: methyl 4-[4-(5-methylsulfonyl-2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[4-(5-methylsulfonyl-2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(5-methylsulfonyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(2-keto-5-mesyl-3H-benzimidazol-1-yl)piperidino]piperidine-1-carboxylic acid methyl ester Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)N2CCC(CC2)N3C4=C(C=C(C=C4)S(=O)(=O)C)NC3=O

Isomeric SMILES

COC(=O)N1CCC(CC1)N2CCC(CC2)N3C4=C(C=C(C=C4)S(=O)(=O)C)NC3=O

InChI

InChI=1S/C20H28N4O5S/c1-29-20(26)23-11-5-14(6-12-23)22-9-7-15(8-10-22)24-18-4-3-16(30(2,27)28)13-17(18)21-19(24)25/h3-4,13-15H,5-12H2,1-2H3,(H,21,25)