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

Systemtic Name: ethyl 1-(1-cyclopentyl-3-phenyl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(1-cyclopentyl-3-phenyl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(1-cyclopentyl-3-phenyl-4-pyrazolyl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(1-cyclopentyl-3-phenyl-pyrazol-4-yl)sulfonylisonipecotic acid ethyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CC=C3)C4CCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CC=C3)C4CCCC4

InChI

InChI=1S/C22H29N3O4S/c1-2-29-22(26)18-12-14-24(15-13-18)30(27,28)20-16-25(19-10-6-7-11-19)23-21(20)17-8-4-3-5-9-17/h3-5,8-9,16,18-19H,2,6-7,10-15H2,1H3