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

Systemtic Name: 6-chloranyl-7-[4-(2-propan-2-ylsulfanylethanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[4-(2-isopropylsulfanylacetyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-[1-oxo-2-(propan-2-ylthio)ethyl]-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[4-(2-propan-2-ylsulfanylacetyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[4-[2-(isopropylthio)acetyl]piperazino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C17H22ClN3O5S2 MolecularWeight: 447.95668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3O5S2/c1-11(2)27-10-17(23)20-3-5-21(6-4-20)28(24,25)15-8-14-13(7-12(15)18)19-16(22)9-26-14/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,22)