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

Systemtic Name: methyl 1-[3-methyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-(1-benzyl-3-methyl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[[3-methyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(1-benzyl-3-methyl-pyrazol-4-yl)sulfonylisonipecotic acid methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)N2CCC(CC2)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)N2CCC(CC2)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O4S/c1-14-17(13-20(19-14)12-15-6-4-3-5-7-15)26(23,24)21-10-8-16(9-11-21)18(22)25-2/h3-7,13,16H,8-12H2,1-2H3