tert-butyl 4-[(6-chloranyl-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(6-chloranyl-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazine-1-carboxylate CAS Name: 4-[(6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazine-1-carboxylate Traditional Name: 4-[(6-chloro-3-keto-2-methyl-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H24ClN3O6S MolecularWeight: 445.91766

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=CC(=C(C=C2O1)S(=O)(=O)N3CCN(CC3)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1C(=O)NC2=CC(=C(C=C2O1)S(=O)(=O)N3CCN(CC3)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C18H24ClN3O6S/c1-11-16(23)20-13-9-12(19)15(10-14(13)27-11)29(25,26)22-7-5-21(6-8-22)17(24)28-18(2,3)4/h9-11H,5-8H2,1-4H3,(H,20,23)