6-bromanyl-N-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methyl]-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonamide

Systemtic Name: 6-bromanyl-N-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methyl]-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonamide Openeye Name: 6-bromo-N-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide CAS Name: 6-bromo-N-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide IUPAC Name: 6-bromo-N-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide Traditional Name: 6-bromo-N-[4-(2,5-dimethylpyrrol-1-yl)benzyl]-3-keto-4H-1,4-benzoxazine-7-sulfonamide Formula: C21H20BrN3O4S MolecularWeight: 490.3702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)CNS(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Br)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)CNS(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Br)C

InChI

InChI=1S/C21H20BrN3O4S/c1-13-3-4-14(2)25(13)16-7-5-15(6-8-16)11-23-30(27,28)20-10-19-18(9-17(20)22)24-21(26)12-29-19/h3-10,23H,11-12H2,1-2H3,(H,24,26)