[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [4-[(1-methyl-2-imidazolyl)methoxy]phenyl]methyl ester IUPAC Name: [4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [4-[(1-methylimidazol-2-yl)methoxy]benzyl] ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC=C(C=C2)OCC3=NC=CN3C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC=C(C=C2)OCC3=NC=CN3C

InChI

InChI=1S/C20H27N3O5S/c1-3-29(25,26)23-11-8-17(9-12-23)20(24)28-14-16-4-6-18(7-5-16)27-15-19-21-10-13-22(19)2/h4-7,10,13,17H,3,8-9,11-12,14-15H2,1-2H3