4-(5-chloranyl-2-methoxy-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carbonitrile

Systemtic Name: 4-(5-chloranyl-2-methoxy-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carbonitrile Openeye Name: 4-(5-chloro-2-methoxy-phenyl)-1-(p-tolylsulfonyl)piperidine-4-carbonitrile CAS Name: 4-(5-chloro-2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarbonitrile IUPAC Name: 4-(5-chloro-2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbonitrile Traditional Name: 4-(5-chloro-2-methoxy-phenyl)-1-tosyl-isonipecotonitrile Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O3S/c1-15-3-6-17(7-4-15)27(24,25)23-11-9-20(14-22,10-12-23)18-13-16(21)5-8-19(18)26-2/h3-8,13H,9-12H2,1-2H3