ethyl 1-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(1-benzyl-3-phenyl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(1-benzyl-3-phenyl-pyrazol-4-yl)sulfonylisonipecotic acid ethyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4S/c1-2-31-24(28)21-13-15-27(16-14-21)32(29,30)22-18-26(17-19-9-5-3-6-10-19)25-23(22)20-11-7-4-8-12-20/h3-12,18,21H,2,13-17H2,1H3