4-(3-chloranyl-2-methyl-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carbonitrile

Systemtic Name: 4-(3-chloranyl-2-methyl-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carbonitrile Openeye Name: 4-(3-chloro-2-methyl-phenyl)-1-(p-tolylsulfonyl)piperidine-4-carbonitrile CAS Name: 4-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarbonitrile IUPAC Name: 4-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbonitrile Traditional Name: 4-(3-chloro-2-methyl-phenyl)-1-tosyl-isonipecotonitrile Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C#N)C3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C#N)C3=C(C(=CC=C3)Cl)C

InChI

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