6-chloranyl-7-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-chloranyl-7-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-(4-pivaloylpiperazino)sulfonyl-4H-1,4-benzoxazin-3-one Formula: C17H22ClN3O5S MolecularWeight: 415.89168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3O5S/c1-17(2,3)16(23)20-4-6-21(7-5-20)27(24,25)14-9-13-12(8-11(14)18)19-15(22)10-26-13/h8-9H,4-7,10H2,1-3H3,(H,19,22)