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

Systemtic Name: 6-chloranyl-7-[4-(2-methylsulfanylethanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[4-(2-methylsulfanylacetyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-[2-(methylthio)-1-oxoethyl]-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[4-(2-methylsulfanylacetyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[4-[2-(methylthio)acetyl]piperazino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C15H18ClN3O5S2 MolecularWeight: 419.90352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O5S2/c1-25-9-15(21)18-2-4-19(5-3-18)26(22,23)13-7-12-11(6-10(13)16)17-14(20)8-24-12/h6-7H,2-5,8-9H2,1H3,(H,17,20)