N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-3-methyl-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-3-methyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-3-methyl-benzenesulfonamide CAS Name: N-[3-(1,3-benzodioxol-5-ylamino)-2-quinoxalinyl]-3-methylbenzenesulfonamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide Traditional Name: N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]-3-methyl-benzenesulfonamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N4O4S/c1-14-5-4-6-16(11-14)31(27,28)26-22-21(24-17-7-2-3-8-18(17)25-22)23-15-9-10-19-20(12-15)30-13-29-19/h2-12H,13H2,1H3,(H,23,24)(H,25,26)