N-(3-chloranyl-4-cyano-phenyl)-1-(4-propan-2-ylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-1-(4-propan-2-ylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-1-(4-isopropylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-4-cyanophenyl)-1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-1-p-cumenylsulfonyl-isonipecotamide Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O3S/c1-15(2)16-4-7-20(8-5-16)30(28,29)26-11-9-17(10-12-26)22(27)25-19-6-3-18(14-24)21(23)13-19/h3-8,13,15,17H,9-12H2,1-2H3,(H,25,27)