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

Systemtic Name: methyl 2-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]sulfonylbenzoic acid methyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)N3C4=CC=CC=C4COC3=O

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)N3C4=CC=CC=C4COC3=O

InChI

InChI=1S/C21H22N2O6S/c1-28-20(24)17-7-3-5-9-19(17)30(26,27)22-12-10-16(11-13-22)23-18-8-4-2-6-15(18)14-29-21(23)25/h2-9,16H,10-14H2,1H3