(3S)-1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine

Systemtic Name: (3S)-1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine Openeye Name: (3S)-1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine CAS Name: (3S)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine IUPAC Name: (3S)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine Traditional Name: (3S)-1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine Formula: C17H22ClN3O2S MolecularWeight: 367.89348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCCC(C2)C3=C(C=NN3)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCC[C@@H](C2)C3=C(C=NN3)C

InChI

InChI=1S/C17H22ClN3O2S/c1-11-8-16(12(2)7-15(11)18)24(22,23)21-6-4-5-14(10-21)17-13(3)9-19-20-17/h7-9,14H,4-6,10H2,1-3H3,(H,19,20)/t14-/m0/s1