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

Systemtic Name: N-[3-(azepan-1-yl)quinoxalin-2-yl]-4-bromanyl-benzenesulfonamide Openeye Name: N-[3-(azepan-1-yl)quinoxalin-2-yl]-4-bromo-benzenesulfonamide CAS Name: N-[3-(1-azepanyl)-2-quinoxalinyl]-4-bromobenzenesulfonamide IUPAC Name: N-[3-(azepan-1-yl)quinoxalin-2-yl]-4-bromobenzenesulfonamide Traditional Name: N-[3-(azepan-1-yl)quinoxalin-2-yl]-4-bromo-benzenesulfonamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H21BrN4O2S/c21-15-9-11-16(12-10-15)28(26,27)24-19-20(25-13-5-1-2-6-14-25)23-18-8-4-3-7-17(18)22-19/h3-4,7-12H,1-2,5-6,13-14H2,(H,22,24)