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

Systemtic Name: ethyl 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-p-anisyl-isonipecotic acid ethyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=C(NN=C2C)C)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=C(NN=C2C)C)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H29N3O5S/c1-5-29-20(25)21(14-17-6-8-18(28-4)9-7-17)10-12-24(13-11-21)30(26,27)19-15(2)22-23-16(19)3/h6-9H,5,10-14H2,1-4H3,(H,22,23)