6-chloranyl-7-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-chloranyl-7-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[4-(3,3-dimethylbutanoyl)piperazino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C18H24ClN3O5S MolecularWeight: 429.91826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C18H24ClN3O5S/c1-18(2,3)10-17(24)21-4-6-22(7-5-21)28(25,26)15-9-14-13(8-12(15)19)20-16(23)11-27-14/h8-9H,4-7,10-11H2,1-3H3,(H,20,23)