N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]pyridine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]pyridine-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]pyridine-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-4-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]isonicotinamide Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNC(=O)C3=CC=NC=C3)C4=CN=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNC(=O)C3=CC=NC=C3)C4=CN=CC=C4

InChI

InChI=1S/C20H17N3O5S/c24-20(14-5-8-21-9-6-14)23-12-19(15-2-1-7-22-11-15)29(25,26)16-3-4-17-18(10-16)28-13-27-17/h1-11,19H,12-13H2,(H,23,24)