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

Systemtic Name: (phenylmethyl) 3-(4-methoxyphenyl)sulfonyl-6-oxidanylidene-1-(phenylmethyl)-1,3-diazinane-4-carboxylate Openeye Name: benzyl 1-benzyl-3-(4-methoxyphenyl)sulfonyl-6-oxo-hexahydropyrimidine-4-carboxylate CAS Name: 3-(4-methoxyphenyl)sulfonyl-6-oxo-1-(phenylmethyl)-1,3-diazinane-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-benzyl-3-(4-methoxyphenyl)sulfonyl-6-oxo-1,3-diazinane-4-carboxylate Traditional Name: 1-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)N2CN(C(=O)CC2C(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CN(C(=O)CC2C(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

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