ethyl 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonylpiperidine-3-carboxylate CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonylnipecotic acid ethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C19H25N3O4S/c1-4-26-19(23)16-9-8-12-21(13-16)27(24,25)18-14(2)20-22(15(18)3)17-10-6-5-7-11-17/h5-7,10-11,16H,4,8-9,12-13H2,1-3H3