1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-4-phenyl-isonipecotonitrile Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H21ClN2O2S/c1-15-13-19(16(2)12-18(15)21)26(24,25)23-10-8-20(14-22,9-11-23)17-6-4-3-5-7-17/h3-7,12-13H,8-11H2,1-2H3