(5-chloranyl-1-methyl-imidazol-2-yl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C19H24ClN3O5S MolecularWeight: 441.92896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC=C(N3C)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC=C(N3C)Cl

InChI

InChI=1S/C19H24ClN3O5S/c1-3-27-15-4-6-16(7-5-15)29(25,26)23-10-8-14(9-11-23)19(24)28-13-18-21-12-17(20)22(18)2/h4-7,12,14H,3,8-11,13H2,1-2H3