2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazino]sulfonylbenzonitrile Formula: C16H19N5O4S2 MolecularWeight: 409.48316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H19N5O4S2/c1-12-16(13(2)19-18-12)27(24,25)21-9-7-20(8-10-21)26(22,23)15-6-4-3-5-14(15)11-17/h3-6H,7-10H2,1-2H3,(H,18,19)