N-(3-chloranyl-4-cyano-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-chloro-4-cyanophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotamide Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)C#N)Cl)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)C#N)Cl)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H20ClN3O5S/c22-18-11-16(2-1-15(18)13-23)24-21(26)14-5-7-25(8-6-14)31(27,28)17-3-4-19-20(12-17)30-10-9-29-19/h1-4,11-12,14H,5-10H2,(H,24,26)