N-(3-chloranyl-4-cyano-phenyl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-4-cyanophenyl)-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)C#N)Cl)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)C#N)Cl)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O3S/c22-20-14-19(7-6-18(20)15-23)24-21(26)17-8-11-25(12-9-17)29(27,28)13-10-16-4-2-1-3-5-16/h1-7,10,13-14,17H,8-9,11-12H2,(H,24,26)/b13-10+