N-methyl-1-(1-methylpyrazol-4-yl)-1-(3-methylsulfonylphenyl)methanamine

Systemtic Name: N-methyl-1-(1-methylpyrazol-4-yl)-1-(3-methylsulfonylphenyl)methanamine Openeye Name: N-methyl-1-(1-methylpyrazol-4-yl)-1-(3-methylsulfonylphenyl)methanamine CAS Name: N-methyl-1-(1-methyl-4-pyrazolyl)-1-(3-methylsulfonylphenyl)methanamine IUPAC Name: N-methyl-1-(1-methylpyrazol-4-yl)-1-(3-methylsulfonylphenyl)methanamine Traditional Name: [(3-mesylphenyl)-(1-methylpyrazol-4-yl)methyl]-methyl-amine Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CNC(C1=CC(=CC=C1)S(=O)(=O)C)C2=CN(N=C2)C

Isomeric SMILES

CNC(C1=CC(=CC=C1)S(=O)(=O)C)C2=CN(N=C2)C

InChI

InChI=1S/C13H17N3O2S/c1-14-13(11-8-15-16(2)9-11)10-5-4-6-12(7-10)19(3,17)18/h4-9,13-14H,1-3H3