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

Systemtic Name: ethyl 1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 3-benzyl-1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-piperidine-3-carboxylate CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylate Traditional Name: 3-benzyl-1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-nipecotic acid ethyl ester Formula: C20H26ClN3O4S MolecularWeight: 439.95614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O4S/c1-4-28-19(25)20(13-16-9-6-5-7-10-16)11-8-12-24(14-20)29(26,27)17-15(2)22-23(3)18(17)21/h5-7,9-10H,4,8,11-14H2,1-3H3