tert-butyl 2-azanyl-2-(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)-7-(methylsulfonylamino)heptanoate

Systemtic Name: tert-butyl 2-azanyl-2-(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)-7-(methylsulfonylamino)heptanoate Openeye Name: tert-butyl 2-amino-2-(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)-7-(methanesulfonamido)heptanoate CAS Name: 2-amino-2-(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)-7-(methanesulfonamido)heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-2-(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)-7-(methanesulfonamido)heptanoate Traditional Name: 2-amino-2-(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)-7-(methanesulfonamido)enanthic acid tert-butyl ester Formula: C21H34N4O5S MolecularWeight: 454.58346

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NC2=C(O1)C=CC(=C2)C(CCCCCNS(=O)(=O)C)(C(=O)OC(C)(C)C)N)N

Isomeric SMILES

CC1C(=NC2=C(O1)C=CC(=C2)C(CCCCCNS(=O)(=O)C)(C(=O)OC(C)(C)C)N)N

InChI

InChI=1S/C21H34N4O5S/c1-14-18(22)25-16-13-15(9-10-17(16)29-14)21(23,19(26)30-20(2,3)4)11-7-6-8-12-24-31(5,27)28/h9-10,13-14,24H,6-8,11-12,23H2,1-5H3,(H2,22,25)