methyl 2-[4-(8-methyl-2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(8-methyl-2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(2-keto-8-methyl-4H-3,1-benzoxazin-1-yl)piperidino]sulfonylbenzoic acid methyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C22H24N2O6S/c1-15-6-5-7-16-14-30-22(26)24(20(15)16)17-10-12-23(13-11-17)31(27,28)19-9-4-3-8-18(19)21(25)29-2/h3-9,17H,10-14H2,1-2H3