3-(4-methoxyphenyl)sulfonyl-6-oxidanylidene-1-(phenylmethyl)-1,3-diazinane-4-carboxylic acid

Systemtic Name: 3-(4-methoxyphenyl)sulfonyl-6-oxidanylidene-1-(phenylmethyl)-1,3-diazinane-4-carboxylic acid Openeye Name: 1-benzyl-3-(4-methoxyphenyl)sulfonyl-6-oxo-hexahydropyrimidine-4-carboxylic acid CAS Name: 3-(4-methoxyphenyl)sulfonyl-6-oxo-1-(phenylmethyl)-1,3-diazinane-4-carboxylic acid IUPAC Name: 1-benzyl-3-(4-methoxyphenyl)sulfonyl-6-oxo-1,3-diazinane-4-carboxylic acid Traditional Name: 1-benzyl-6-keto-3-(4-methoxyphenyl)sulfonyl-hexahydropyrimidine-4-carboxylic acid Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CN(C(=O)CC2C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CN(C(=O)CC2C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O6S/c1-27-15-7-9-16(10-8-15)28(25,26)21-13-20(12-14-5-3-2-4-6-14)18(22)11-17(21)19(23)24/h2-10,17H,11-13H2,1H3,(H,23,24)