1-[6-bromanyl-1-(4-methylphenyl)sulfonyl-2,4-dihydro-3,1-benzoxazin-2-yl]propan-2-one

Systemtic Name: 1-[6-bromanyl-1-(4-methylphenyl)sulfonyl-2,4-dihydro-3,1-benzoxazin-2-yl]propan-2-one Openeye Name: 1-[6-bromo-1-(p-tolylsulfonyl)-2,4-dihydro-3,1-benzoxazin-2-yl]propan-2-one CAS Name: 1-[6-bromo-1-(4-methylphenyl)sulfonyl-2,4-dihydro-3,1-benzoxazin-2-yl]-2-propanone IUPAC Name: 1-[6-bromo-1-(4-methylphenyl)sulfonyl-2,4-dihydro-3,1-benzoxazin-2-yl]propan-2-one Traditional Name: 1-(6-bromo-1-tosyl-2,4-dihydro-3,1-benzoxazin-2-yl)acetone Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(OCC3=C2C=CC(=C3)Br)CC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(OCC3=C2C=CC(=C3)Br)CC(=O)C

InChI

InChI=1S/C18H18BrNO4S/c1-12-3-6-16(7-4-12)25(22,23)20-17-8-5-15(19)10-14(17)11-24-18(20)9-13(2)21/h3-8,10,18H,9,11H2,1-2H3