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

Systemtic Name: ethyl 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 3-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylate CAS Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylate Traditional Name: 3-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]nipecotic acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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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=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=C(NN=C2C)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O4S/c1-4-27-19(24)20(13-17-9-6-5-7-10-17)11-8-12-23(14-20)28(25,26)18-15(2)21-22-16(18)3/h5-7,9-10H,4,8,11-14H2,1-3H3,(H,21,22)