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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-4-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-1-(3,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3S/c1-14-3-6-19(11-15(14)2)29(27,28)25-9-7-16(8-10-25)21(26)24-18-5-4-17(13-23)20(22)12-18/h3-6,11-12,16H,7-10H2,1-2H3,(H,24,26)