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

Systemtic Name: 1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-4-(phenylmethyl)piperidine Openeye Name: 4-benzyl-1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-piperidine CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]-4-(phenylmethyl)piperidine IUPAC Name: 4-benzyl-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine Traditional Name: 4-benzyl-1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-piperidine Formula: C17H22ClN3O2S MolecularWeight: 367.89348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)Cl)C

InChI

InChI=1S/C17H22ClN3O2S/c1-13-16(17(18)20(2)19-13)24(22,23)21-10-8-15(9-11-21)12-14-6-4-3-5-7-14/h3-7,15H,8-12H2,1-2H3