2-methyl-6-[[(4-methylsulfonylphenyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 2-methyl-6-[[(4-methylsulfonylphenyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-methyl-6-[[(4-methylsulfonylphenyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-methyl-6-[[(4-methylsulfonylphenyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-methyl-6-[[(4-methylsulfonylphenyl)methylamino]methyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[(4-mesylbenzyl)amino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)CNCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)CNCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H20N2O4S/c1-12-18(21)20-16-9-14(5-8-17(16)24-12)11-19-10-13-3-6-15(7-4-13)25(2,22)23/h3-9,12,19H,10-11H2,1-2H3,(H,20,21)