3-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-2-[1-(phenylsulfonyl)ethyl]heptanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-2-[1-(phenylsulfonyl)ethyl]heptanoic acid Openeye Name: 2-[1-(benzenesulfonyl)ethyl]-3-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-heptanoic acid CAS Name: 2-[1-(benzenesulfonyl)ethyl]-3-(3,4-dimethoxyphenyl)sulfonyl-7-phenylheptanoic acid IUPAC Name: 2-[1-(benzenesulfonyl)ethyl]-3-(3,4-dimethoxyphenyl)sulfonyl-7-phenylheptanoic acid Traditional Name: 2-(1-besylethyl)-3-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-enanthic acid Formula: C29H34O8S2 MolecularWeight: 574.70546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(CCCCC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(C(CCCCC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H34O8S2/c1-21(38(32,33)23-15-8-5-9-16-23)28(29(30)31)27(17-11-10-14-22-12-6-4-7-13-22)39(34,35)24-18-19-25(36-2)26(20-24)37-3/h4-9,12-13,15-16,18-21,27-28H,10-11,14,17H2,1-3H3,(H,30,31)