5-bromanyl-N-[3-[(4-butan-2-ylphenyl)amino]quinoxalin-2-yl]-2-ethoxy-benzenesulfonamide

Systemtic Name: 5-bromanyl-N-[3-[(4-butan-2-ylphenyl)amino]quinoxalin-2-yl]-2-ethoxy-benzenesulfonamide Openeye Name: 5-bromo-2-ethoxy-N-[3-(4-sec-butylanilino)quinoxalin-2-yl]benzenesulfonamide CAS Name: 5-bromo-N-[3-(4-butan-2-ylanilino)-2-quinoxalinyl]-2-ethoxybenzenesulfonamide IUPAC Name: 5-bromo-N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]-2-ethoxybenzenesulfonamide Traditional Name: 5-bromo-2-ethoxy-N-[3-(4-sec-butylanilino)quinoxalin-2-yl]benzenesulfonamide Formula: C26H27BrN4O3S MolecularWeight: 555.48658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=C(C=CC(=C4)Br)OCC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=C(C=CC(=C4)Br)OCC

InChI

InChI=1S/C26H27BrN4O3S/c1-4-17(3)18-10-13-20(14-11-18)28-25-26(30-22-9-7-6-8-21(22)29-25)31-35(32,33)24-16-19(27)12-15-23(24)34-5-2/h6-17H,4-5H2,1-3H3,(H,28,29)(H,30,31)