7-(4-butanoylpiperazin-1-yl)sulfonyl-6-chloranyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 7-(4-butanoylpiperazin-1-yl)sulfonyl-6-chloranyl-4H-1,4-benzoxazin-3-one Openeye Name: 7-(4-butanoylpiperazin-1-yl)sulfonyl-6-chloro-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-(1-oxobutyl)-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 7-(4-butanoylpiperazin-1-yl)sulfonyl-6-chloro-4H-1,4-benzoxazin-3-one Traditional Name: 7-(4-butyrylpiperazino)sulfonyl-6-chloro-4H-1,4-benzoxazin-3-one Formula: C16H20ClN3O5S MolecularWeight: 401.8651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O5S/c1-2-3-16(22)19-4-6-20(7-5-19)26(23,24)14-9-13-12(8-11(14)17)18-15(21)10-25-13/h8-9H,2-7,10H2,1H3,(H,18,21)