N-[3-(1,3-benzodioxol-5-ylamino)-6-methyl-quinoxalin-2-yl]-4-chloranyl-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylamino)-6-methyl-quinoxalin-2-yl]-4-chloranyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylamino)-6-methyl-quinoxalin-2-yl]-4-chloro-benzenesulfonamide CAS Name: N-[3-(1,3-benzodioxol-5-ylamino)-6-methyl-2-quinoxalinyl]-4-chlorobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylamino)-6-methylquinoxalin-2-yl]-4-chlorobenzenesulfonamide Traditional Name: N-[3-(1,3-benzodioxol-5-ylamino)-6-methyl-quinoxalin-2-yl]-4-chloro-benzenesulfonamide Formula: C22H17ClN4O4S MolecularWeight: 468.91278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=N2)NC3=CC4=C(C=C3)OCO4)NS(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=N2)NC3=CC4=C(C=C3)OCO4)NS(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H17ClN4O4S/c1-13-2-8-17-18(10-13)26-21(24-15-5-9-19-20(11-15)31-12-30-19)22(25-17)27-32(28,29)16-6-3-14(23)4-7-16/h2-11H,12H2,1H3,(H,24,26)(H,25,27)