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

Systemtic Name: methyl 1-(1-cyclopentyl-3-phenyl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-(1-cyclopentyl-3-phenyl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(1-cyclopentyl-3-phenyl-4-pyrazolyl)sulfonyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(1-cyclopentyl-3-phenyl-pyrazol-4-yl)sulfonylisonipecotic acid methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-28-21(25)17-11-13-23(14-12-17)29(26,27)19-15-24(18-9-5-6-10-18)22-20(19)16-7-3-2-4-8-16/h2-4,7-8,15,17-18H,5-6,9-14H2,1H3