tert-butyl 2-azanyl-2-(3-azanyl-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(4-methylsulfonylphenyl)propanoate

Systemtic Name: tert-butyl 2-azanyl-2-(3-azanyl-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(4-methylsulfonylphenyl)propanoate Openeye Name: tert-butyl 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(4-methylsulfonylphenyl)propanoate CAS Name: 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(4-methylsulfonylphenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(4-methylsulfonylphenyl)propanoate Traditional Name: 2-amino-2-(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(4-mesylphenyl)propionic acid tert-butyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C(O1)C=CC(=C2)C(CC3=CC=C(C=C3)S(=O)(=O)C)(C(=O)OC(C)(C)C)N)N

Isomeric SMILES

CC1=C(NC2=C(O1)C=CC(=C2)C(CC3=CC=C(C=C3)S(=O)(=O)C)(C(=O)OC(C)(C)C)N)N

InChI

InChI=1S/C23H29N3O5S/c1-14-20(24)26-18-12-16(8-11-19(18)30-14)23(25,21(27)31-22(2,3)4)13-15-6-9-17(10-7-15)32(5,28)29/h6-12,26H,13,24-25H2,1-5H3