N-[3-(prop-2-ynylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-(prop-2-ynylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-(prop-2-ynylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-(prop-2-ynylamino)-2-quinoxalinyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-(prop-2-ynylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-(propargylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C#CCNC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H16N4O4S/c1-2-9-20-18-19(22-15-6-4-3-5-14(15)21-18)23-28(24,25)13-7-8-16-17(12-13)27-11-10-26-16/h1,3-8,12H,9-11H2,(H,20,21)(H,22,23)