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

Systemtic Name: 4-methyl-N-[3-(3-methylbutylamino)quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-(isopentylamino)quinoxalin-2-yl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[3-(3-methylbutylamino)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[3-(3-methylbutylamino)quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-(isoamylamino)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Formula: C20H24N4O2S MolecularWeight: 384.49516

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2S/c1-14(2)12-13-21-19-20(23-18-7-5-4-6-17(18)22-19)24-27(25,26)16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3,(H,21,22)(H,23,24)