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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(3-acetylphenyl)sulfonyl-N-(3-chloro-4-cyano-phenyl)piperidine-4-carboxamide CAS Name: 1-(3-acetylphenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(3-acetylphenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)piperidine-4-carboxamide Traditional Name: 1-(3-acetylphenyl)sulfonyl-N-(3-chloro-4-cyano-phenyl)isonipecotamide Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4S/c1-14(26)16-3-2-4-19(11-16)30(28,29)25-9-7-15(8-10-25)21(27)24-18-6-5-17(13-23)20(22)12-18/h2-6,11-12,15H,7-10H2,1H3,(H,24,27)