methyl 3-[[4-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 3-[[4-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 3-[[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 3-[[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 3-[[4-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H21ClN3O7S+ MolecularWeight: 470.90394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

COC(=O)C1=C(C=CO1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

InChI=1S/C19H20ClN3O7S/c1-28-19(25)18-12(2-7-29-18)10-22-3-5-23(6-4-22)31(26,27)16-9-15-14(8-13(16)20)21-17(24)11-30-15/h2,7-9H,3-6,10-11H2,1H3,(H,21,24)/p+1