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

Systemtic Name: 6-chloranyl-7-[4-(oxan-4-ylcarbonyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[4-(tetrahydropyran-4-carbonyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-[4-oxanyl(oxo)methyl]-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[4-(oxane-4-carbonyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[4-(tetrahydropyran-4-carbonyl)piperazino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C18H22ClN3O6S MolecularWeight: 443.90178

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

C1COCCC1C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

InChI=1S/C18H22ClN3O6S/c19-13-9-14-15(28-11-17(23)20-14)10-16(13)29(25,26)22-5-3-21(4-6-22)18(24)12-1-7-27-8-2-12/h9-10,12H,1-8,11H2,(H,20,23)