ethyl 1-(2-methoxy-5-pyrazol-1-yl-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-methoxy-5-pyrazol-1-yl-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(2-methoxy-5-pyrazol-1-yl-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-methoxy-5-(1-pyrazolyl)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-methoxy-5-pyrazol-1-yl-phenyl)sulfonylisonipecotic acid ethyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)N3C=CC=N3)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)N3C=CC=N3)OC

InChI

InChI=1S/C18H23N3O5S/c1-3-26-18(22)14-7-11-20(12-8-14)27(23,24)17-13-15(5-6-16(17)25-2)21-10-4-9-19-21/h4-6,9-10,13-14H,3,7-8,11-12H2,1-2H3