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

Systemtic Name: 6-chloranyl-7-(4-propanoylpiperazin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-(4-propanoylpiperazin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-(1-oxopropyl)-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-(4-propanoylpiperazin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-(4-propionylpiperazino)sulfonyl-4H-1,4-benzoxazin-3-one Formula: C15H18ClN3O5S MolecularWeight: 387.83852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O5S/c1-2-15(21)18-3-5-19(6-4-18)25(22,23)13-8-12-11(7-10(13)16)17-14(20)9-24-12/h7-8H,2-6,9H2,1H3,(H,17,20)