tert-butyl 4-(6-methylsulfonyl-4-oxidanylidene-3,1-benzoxazin-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(6-methylsulfonyl-4-oxidanylidene-3,1-benzoxazin-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(6-methylsulfonyl-4-oxo-3,1-benzoxazin-2-yl)piperazine-1-carboxylate CAS Name: 4-(6-methylsulfonyl-4-oxo-3,1-benzoxazin-2-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-methylsulfonyl-4-oxo-3,1-benzoxazin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(4-keto-6-mesyl-3,1-benzoxazin-2-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H23N3O6S MolecularWeight: 409.45672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(C=C(C=C3)S(=O)(=O)C)C(=O)O2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(C=C(C=C3)S(=O)(=O)C)C(=O)O2

InChI

InChI=1S/C18H23N3O6S/c1-18(2,3)27-17(23)21-9-7-20(8-10-21)16-19-14-6-5-12(28(4,24)25)11-13(14)15(22)26-16/h5-6,11H,7-10H2,1-4H3