1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-4-phenyl-isonipecotonitrile Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3)Cl)C

InChI

InChI=1S/C17H19ClN4O2S/c1-13-15(16(18)21(2)20-13)25(23,24)22-10-8-17(12-19,9-11-22)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3