[1,3-dimethyl-5-(3-methylsulfonylphenoxy)pyrazol-4-yl]methanamine

Systemtic Name: [1,3-dimethyl-5-(3-methylsulfonylphenoxy)pyrazol-4-yl]methanamine Openeye Name: [1,3-dimethyl-5-(3-methylsulfonylphenoxy)pyrazol-4-yl]methanamine CAS Name: [1,3-dimethyl-5-(3-methylsulfonylphenoxy)-4-pyrazolyl]methanamine IUPAC Name: [1,3-dimethyl-5-(3-methylsulfonylphenoxy)pyrazol-4-yl]methanamine Traditional Name: [5-(3-mesylphenoxy)-1,3-dimethyl-pyrazol-4-yl]methylamine Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN)OC2=CC(=CC=C2)S(=O)(=O)C)C

Isomeric SMILES

CC1=NN(C(=C1CN)OC2=CC(=CC=C2)S(=O)(=O)C)C

InChI

InChI=1S/C13H17N3O3S/c1-9-12(8-14)13(16(2)15-9)19-10-5-4-6-11(7-10)20(3,17)18/h4-7H,8,14H2,1-3H3