2,4-dimethyl-N-[3-(3-methylbutylamino)quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 2,4-dimethyl-N-[3-(3-methylbutylamino)quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-(isopentylamino)quinoxalin-2-yl]-2,4-dimethyl-benzenesulfonamide CAS Name: 2,4-dimethyl-N-[3-(3-methylbutylamino)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 2,4-dimethyl-N-[3-(3-methylbutylamino)quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-(isoamylamino)quinoxalin-2-yl]-2,4-dimethyl-benzenesulfonamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCCC(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCCC(C)C)C

InChI

InChI=1S/C21H26N4O2S/c1-14(2)11-12-22-20-21(24-18-8-6-5-7-17(18)23-20)25-28(26,27)19-10-9-15(3)13-16(19)4/h5-10,13-14H,11-12H2,1-4H3,(H,22,23)(H,24,25)