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

Systemtic Name: methyl 1-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-(1-benzyl-3-phenyl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(1-benzyl-3-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(1-benzyl-3-phenyl-pyrazol-4-yl)sulfonylisonipecotic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c1-30-23(27)20-12-14-26(15-13-20)31(28,29)21-17-25(16-18-8-4-2-5-9-18)24-22(21)19-10-6-3-7-11-19/h2-11,17,20H,12-16H2,1H3