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

Systemtic Name: 6-[4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[5-benzyloxycarbonyl-4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[5-carbobenzoxy-2-keto-4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C31H31N3O10S MolecularWeight: 637.65694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H31N3O10S/c1-21-28(30(37)43-20-22-12-4-2-5-13-22)29(32-31(38)33(21)19-11-3-6-18-27(35)36)23-14-7-9-16-25(23)44-45(41,42)26-17-10-8-15-24(26)34(39)40/h2,4-5,7-10,12-17,29H,3,6,11,18-20H2,1H3,(H,32,38)(H,35,36)