N-[5-bromanyl-2-(3,5-dimethylmorpholin-4-yl)carbonyl-phenyl]quinoxaline-5-sulfonamide

Systemtic Name: N-[5-bromanyl-2-(3,5-dimethylmorpholin-4-yl)carbonyl-phenyl]quinoxaline-5-sulfonamide Openeye Name: N-[5-bromo-2-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide CAS Name: N-[5-bromo-2-[(3,5-dimethyl-4-morpholinyl)-oxomethyl]phenyl]-5-quinoxalinesulfonamide IUPAC Name: N-[5-bromo-2-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide Traditional Name: N-[5-bromo-2-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide Formula: C21H21BrN4O4S MolecularWeight: 505.38484

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCC(N1C(=O)C2=C(C=C(C=C2)Br)NS(=O)(=O)C3=CC=CC4=NC=CN=C43)C

Isomeric SMILES

CC1COCC(N1C(=O)C2=C(C=C(C=C2)Br)NS(=O)(=O)C3=CC=CC4=NC=CN=C43)C

InChI

InChI=1S/C21H21BrN4O4S/c1-13-11-30-12-14(2)26(13)21(27)16-7-6-15(22)10-18(16)25-31(28,29)19-5-3-4-17-20(19)24-9-8-23-17/h3-10,13-14,25H,11-12H2,1-2H3