(phenylmethyl) 3-(4-methoxyphenyl)sulfonyl-6-oxidanylidene-2-(phenylmethyl)-1,3-diazinane-4-carboxylate

Systemtic Name: (phenylmethyl) 3-(4-methoxyphenyl)sulfonyl-6-oxidanylidene-2-(phenylmethyl)-1,3-diazinane-4-carboxylate Openeye Name: benzyl 2-benzyl-3-(4-methoxyphenyl)sulfonyl-6-oxo-hexahydropyrimidine-4-carboxylate CAS Name: 3-(4-methoxyphenyl)sulfonyl-6-oxo-2-(phenylmethyl)-1,3-diazinane-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-benzyl-3-(4-methoxyphenyl)sulfonyl-6-oxo-1,3-diazinane-4-carboxylate Traditional Name: 2-benzyl-6-keto-3-(4-methoxyphenyl)sulfonyl-hexahydropyrimidine-4-carboxylic acid benzyl ester Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=O)NC2CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=O)NC2CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O6S/c1-33-21-12-14-22(15-13-21)35(31,32)28-23(26(30)34-18-20-10-6-3-7-11-20)17-25(29)27-24(28)16-19-8-4-2-5-9-19/h2-15,23-24H,16-18H2,1H3,(H,27,29)