ethyl 1-(3-phenyl-1-propan-2-yl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(3-phenyl-1-propan-2-yl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(1-isopropyl-3-phenyl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(3-phenyl-1-propan-2-yl-4-pyrazolyl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(1-isopropyl-3-phenyl-pyrazol-4-yl)sulfonylisonipecotic acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CC=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C20H27N3O4S/c1-4-27-20(24)17-10-12-22(13-11-17)28(25,26)18-14-23(15(2)3)21-19(18)16-8-6-5-7-9-16/h5-9,14-15,17H,4,10-13H2,1-3H3