ethyl 3-[(2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-(o-tolylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-3-carboxylate CAS Name: 3-[(2-methylphenyl)methyl]-1-[(1,3,5-trimethyl-4-pyrazolyl)sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylate Traditional Name: 3-(2-methylbenzyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-nipecotic acid ethyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=C(N(N=C2C)C)C)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=C(N(N=C2C)C)C)CC3=CC=CC=C3C

InChI

InChI=1S/C22H31N3O4S/c1-6-29-21(26)22(14-19-11-8-7-10-16(19)2)12-9-13-25(15-22)30(27,28)20-17(3)23-24(5)18(20)4/h7-8,10-11H,6,9,12-15H2,1-5H3