methyl 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)-4-imidazolyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]isonipecotic acid methyl ester Formula: C20H33N3O4S MolecularWeight: 411.55872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)CN3CCC(CC3)C(=O)OC

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)CN3CCC(CC3)C(=O)OC

InChI

InChI=1S/C20H33N3O4S/c1-3-4-10-23-18(14-22-11-8-17(9-12-22)19(24)27-2)13-21-20(23)28(25,26)15-16-6-5-7-16/h13,16-17H,3-12,14-15H2,1-2H3