methyl 4-[[2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoate

Systemtic Name: methyl 4-[[2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoate Openeye Name: methyl 4-[[2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoate CAS Name: 4-[[2-[oxo(propylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoate Traditional Name: 4-[[2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCNC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H22N2O6S/c1-3-12-21-19(23)18-13-22(16-6-4-5-7-17(16)28-18)29(25,26)15-10-8-14(9-11-15)20(24)27-2/h4-11,18H,3,12-13H2,1-2H3,(H,21,23)