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

Systemtic Name: ethyl 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-5-28-20(25)21(13-18-10-7-6-9-15(18)2)11-8-12-24(14-21)29(26,27)19-16(3)22-23-17(19)4/h6-7,9-10H,5,8,11-14H2,1-4H3,(H,22,23)