5-(3-methylpiperidin-1-yl)-1-(4-methylsulfonylphenyl)pyrazole-4-carbonitrile

Systemtic Name: 5-(3-methylpiperidin-1-yl)-1-(4-methylsulfonylphenyl)pyrazole-4-carbonitrile Openeye Name: 5-(3-methyl-1-piperidyl)-1-(4-methylsulfonylphenyl)pyrazole-4-carbonitrile CAS Name: 5-(3-methyl-1-piperidinyl)-1-(4-methylsulfonylphenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(3-methylpiperidin-1-yl)-1-(4-methylsulfonylphenyl)pyrazole-4-carbonitrile Traditional Name: 1-(4-mesylphenyl)-5-(3-methylpiperidino)pyrazole-4-carbonitrile Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=NN2C3=CC=C(C=C3)S(=O)(=O)C)C#N

Isomeric SMILES

CC1CCCN(C1)C2=C(C=NN2C3=CC=C(C=C3)S(=O)(=O)C)C#N

InChI

InChI=1S/C17H20N4O2S/c1-13-4-3-9-20(12-13)17-14(10-18)11-19-21(17)15-5-7-16(8-6-15)24(2,22)23/h5-8,11,13H,3-4,9,12H2,1-2H3