N-(4-chloranyl-3-cyano-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-chloranyl-3-cyano-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-chloro-3-cyano-phenyl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-chloro-3-cyanophenyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-3-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-chloro-3-cyano-phenyl)-1-tosyl-isonipecotamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H20ClN3O3S/c1-14-2-5-18(6-3-14)28(26,27)24-10-8-15(9-11-24)20(25)23-17-4-7-19(21)16(12-17)13-22/h2-7,12,15H,8-11H2,1H3,(H,23,25)