N-[3-(azepan-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(azepan-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(1-azepanyl)-2-quinoxalinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(azepan-1-yl)quinoxalin-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(azepan-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCCCCC4

InChI

InChI=1S/C21H24N4O2S/c1-16-10-12-17(13-11-16)28(26,27)24-20-21(25-14-6-2-3-7-15-25)23-19-9-5-4-8-18(19)22-20/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,22,24)