N-(3-cyanophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(3-cyanophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(3-cyanophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-cyanophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(3-cyanophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(3-cyanophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c22-14-15-2-1-3-17(12-15)23-21(25)16-6-8-24(9-7-16)30(26,27)18-4-5-19-20(13-18)29-11-10-28-19/h1-5,12-13,16H,6-11H2,(H,23,25)