4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazino]methyl]benzonitrile Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H21N5O2S/c1-13-17(14(2)20-19-13)25(23,24)22-9-7-21(8-10-22)12-16-5-3-15(11-18)4-6-16/h3-6H,7-10,12H2,1-2H3,(H,19,20)