2-[(6-bromanyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl-ethyl-amino]-N-ethyl-ethanamide

Systemtic Name: 2-[(6-bromanyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl-ethyl-amino]-N-ethyl-ethanamide Openeye Name: 2-[(6-bromo-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-ethyl-amino]-N-ethyl-acetamide CAS Name: 2-[(6-bromo-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-ethylamino]-N-ethylacetamide IUPAC Name: 2-[(6-bromo-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-ethylamino]-N-ethylacetamide Traditional Name: 2-[(6-bromo-3-keto-4H-1,4-benzoxazin-7-yl)sulfonyl-ethyl-amino]-N-ethyl-acetamide Formula: C14H18BrN3O5S MolecularWeight: 420.27882

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN(CC)S(=O)(=O)C1=C(C=C2C(=C1)OCC(=O)N2)Br

Isomeric SMILES

CCNC(=O)CN(CC)S(=O)(=O)C1=C(C=C2C(=C1)OCC(=O)N2)Br

InChI

InChI=1S/C14H18BrN3O5S/c1-3-16-13(19)7-18(4-2)24(21,22)12-6-11-10(5-9(12)15)17-14(20)8-23-11/h5-6H,3-4,7-8H2,1-2H3,(H,16,19)(H,17,20)