methyl 2-[4-(6-chloranyl-2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(6-chloranyl-2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(6-chloro-2-keto-4H-3,1-benzoxazin-1-yl)piperidino]sulfonylbenzoic acid methyl ester Formula: C21H21ClN2O6S MolecularWeight: 464.91924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)N3C4=C(COC3=O)C=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)N3C4=C(COC3=O)C=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2O6S/c1-29-20(25)17-4-2-3-5-19(17)31(27,28)23-10-8-16(9-11-23)24-18-7-6-15(22)12-14(18)13-30-21(24)26/h2-7,12,16H,8-11,13H2,1H3