6-bromanyl-N-(3-ethynylphenyl)-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonamide

Systemtic Name: 6-bromanyl-N-(3-ethynylphenyl)-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonamide Openeye Name: 6-bromo-N-(3-ethynylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide CAS Name: 6-bromo-N-(3-ethynylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide IUPAC Name: 6-bromo-N-(3-ethynylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide Traditional Name: 6-bromo-N-(3-ethynylphenyl)-3-keto-4H-1,4-benzoxazine-7-sulfonamide Formula: C16H11BrN2O4S MolecularWeight: 407.23854

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Br

Isomeric SMILES

C#CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Br

InChI

InChI=1S/C16H11BrN2O4S/c1-2-10-4-3-5-11(6-10)19-24(21,22)15-8-14-13(7-12(15)17)18-16(20)9-23-14/h1,3-8,19H,9H2,(H,18,20)