N-[2-(azepan-1-ylcarbonyl)-5-bromanyl-phenyl]quinoxaline-5-sulfonamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)-5-bromanyl-phenyl]quinoxaline-5-sulfonamide Openeye Name: N-[2-(azepane-1-carbonyl)-5-bromo-phenyl]quinoxaline-5-sulfonamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]-5-bromophenyl]-5-quinoxalinesulfonamide IUPAC Name: N-[2-(azepane-1-carbonyl)-5-bromophenyl]quinoxaline-5-sulfonamide Traditional Name: N-[2-(azepane-1-carbonyl)-5-bromo-phenyl]quinoxaline-5-sulfonamide Formula: C21H21BrN4O3S MolecularWeight: 489.38544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(C=C(C=C2)Br)NS(=O)(=O)C3=CC=CC4=NC=CN=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(C=C(C=C2)Br)NS(=O)(=O)C3=CC=CC4=NC=CN=C43

InChI

InChI=1S/C21H21BrN4O3S/c22-15-8-9-16(21(27)26-12-3-1-2-4-13-26)18(14-15)25-30(28,29)19-7-5-6-17-20(19)24-11-10-23-17/h5-11,14,25H,1-4,12-13H2