N-(1,3-benzodioxol-5-yl)-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(4-cyanophenyl)sulfonyl-isonipecotamide Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H19N3O5S/c21-12-14-1-4-17(5-2-14)29(25,26)23-9-7-15(8-10-23)20(24)22-16-3-6-18-19(11-16)28-13-27-18/h1-6,11,15H,7-10,13H2,(H,22,24)