4-[(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[3,5-dimethyl-4-(1-piperidylsulfonyl)pyrazol-1-yl]methyl]benzonitrile CAS Name: 4-[[3,5-dimethyl-4-(1-piperidinylsulfonyl)-1-pyrazolyl]methyl]benzonitrile IUPAC Name: 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]benzonitrile Traditional Name: 4-[(3,5-dimethyl-4-piperidinosulfonyl-pyrazol-1-yl)methyl]benzonitrile Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C#N)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C#N)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H22N4O2S/c1-14-18(25(23,24)21-10-4-3-5-11-21)15(2)22(20-14)13-17-8-6-16(12-19)7-9-17/h6-9H,3-5,10-11,13H2,1-2H3