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

Systemtic Name: tert-butyl 2-azanyl-2-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-3-(4-sulfamoylphenyl)propanoate Openeye Name: tert-butyl 2-amino-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(4-sulfamoylphenyl)propanoate CAS Name: 2-amino-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(4-sulfamoylphenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(4-sulfamoylphenyl)propanoate Traditional Name: 2-amino-2-(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)-3-(4-sulfamoylphenyl)propionic acid tert-butyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)C(CC3=CC=C(C=C3)S(=O)(=O)N)(C(=O)OC(C)(C)C)N

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)C(CC3=CC=C(C=C3)S(=O)(=O)N)(C(=O)OC(C)(C)C)N

InChI

InChI=1S/C22H27N3O6S/c1-13-19(26)25-17-11-15(7-10-18(17)30-13)22(23,20(27)31-21(2,3)4)12-14-5-8-16(9-6-14)32(24,28)29/h5-11,13H,12,23H2,1-4H3,(H,25,26)(H2,24,28,29)