methyl 1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonyl-imidazol-4-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonyl-imidazol-4-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[2-propylsulfonyl-3-(tetrahydrofuran-2-ylmethyl)imidazol-4-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(2-oxolanylmethyl)-2-propylsulfonyl-4-imidazolyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[2-propylsulfonyl-3-(tetrahydrofurfuryl)imidazol-4-yl]methyl]isonipecotic acid methyl ester Formula: C19H31N3O5S MolecularWeight: 413.53154

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(N1CC2CCCO2)CN3CCC(CC3)C(=O)OC

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(N1CC2CCCO2)CN3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H31N3O5S/c1-3-11-28(24,25)19-20-12-16(22(19)14-17-5-4-10-27-17)13-21-8-6-15(7-9-21)18(23)26-2/h12,15,17H,3-11,13-14H2,1-2H3