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

Systemtic Name: ethyl 1-[3-methyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(1-benzyl-3-methyl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[[3-methyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(1-benzyl-3-methyl-pyrazol-4-yl)sulfonylisonipecotic acid ethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(N=C2C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(N=C2C)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O4S/c1-3-26-19(23)17-9-11-22(12-10-17)27(24,25)18-14-21(20-15(18)2)13-16-7-5-4-6-8-16/h4-8,14,17H,3,9-13H2,1-2H3