2-[4-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 2-[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-[4-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylpiperazino]benzonitrile Formula: C16H18ClN5O2S MolecularWeight: 379.86442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N)Cl)C

InChI

InChI=1S/C16H18ClN5O2S/c1-12-15(16(17)20(2)19-12)25(23,24)22-9-7-21(8-10-22)14-6-4-3-5-13(14)11-18/h3-6H,7-10H2,1-2H3