ethyl 3-(phenylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-(phenylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-3-carboxylate CAS Name: 3-(phenylmethyl)-1-[(1,3,5-trimethyl-4-pyrazolyl)sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylate Traditional Name: 3-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-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(N(N=C2C)C)C)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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