2-[3,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrazol-4-yl]-N-ethyl-ethanamine

Systemtic Name: 2-[3,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrazol-4-yl]-N-ethyl-ethanamine Openeye Name: 2-[3,5-dimethyl-1-(p-tolylsulfonyl)pyrazol-4-yl]-N-ethyl-ethanamine CAS Name: 2-[3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-pyrazolyl]-N-ethylethanamine IUPAC Name: 2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazol-4-yl]-N-ethylethanamine Traditional Name: 2-(3,5-dimethyl-1-tosyl-pyrazol-4-yl)ethyl-ethyl-amine Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCC1=C(N(N=C1C)S(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCNCCC1=C(N(N=C1C)S(=O)(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C16H23N3O2S/c1-5-17-11-10-16-13(3)18-19(14(16)4)22(20,21)15-8-6-12(2)7-9-15/h6-9,17H,5,10-11H2,1-4H3