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

Systemtic Name: 2-methyl-6-[[(4-methylsulfonylphenyl)methylamino]methyl]-4H-1,4-benzoxazin-3-amine dihydrochloride Openeye Name: 2-methyl-6-[[(4-methylsulfonylphenyl)methylamino]methyl]-4H-1,4-benzoxazin-3-amine dihydrochloride CAS Name: 2-methyl-6-[[(4-methylsulfonylphenyl)methylamino]methyl]-4H-1,4-benzoxazin-3-amine dihydrochloride IUPAC Name: 2-methyl-6-[[(4-methylsulfonylphenyl)methylamino]methyl]-4H-1,4-benzoxazin-3-amine dihydrochloride Traditional Name: (3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)methyl-(4-mesylbenzyl)amine dihydrochloride Formula: C18H23Cl2N3O3S MolecularWeight: 432.36452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C(O1)C=CC(=C2)CNCC3=CC=C(C=C3)S(=O)(=O)C)N.Cl.Cl

Isomeric SMILES

CC1=C(NC2=C(O1)C=CC(=C2)CNCC3=CC=C(C=C3)S(=O)(=O)C)N.Cl.Cl

InChI

InChI=1S/C18H21N3O3S.2ClH/c1-12-18(19)21-16-9-14(5-8-17(16)24-12)11-20-10-13-3-6-15(7-4-13)25(2,22)23;;/h3-9,20-21H,10-11,19H2,1-2H3;2*1H