6-[4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid

Systemtic Name: 6-[4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[5-benzyloxycarbonyl-4-methyl-2-oxo-6-[2-(p-tolylsulfonyloxy)phenyl]-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[5-carbobenzoxy-2-keto-4-methyl-6-(2-tosyloxyphenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C32H34N2O8S MolecularWeight: 606.68596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3C(=C(N(C(=O)N3)CCCCCC(=O)O)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3C(=C(N(C(=O)N3)CCCCCC(=O)O)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C32H34N2O8S/c1-22-16-18-25(19-17-22)43(39,40)42-27-14-9-8-13-26(27)30-29(31(37)41-21-24-11-5-3-6-12-24)23(2)34(32(38)33-30)20-10-4-7-15-28(35)36/h3,5-6,8-9,11-14,16-19,30H,4,7,10,15,20-21H2,1-2H3,(H,33,38)(H,35,36)