1-[4-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]-3-propyl-phenyl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]-3-propyl-phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]-3-propyl-phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]-3-propyl-phenyl]sulfonylproline Formula: C32H39NO7S MolecularWeight: 581.71956

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCOC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4C(=O)O)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCOC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4C(=O)O)CCC

InChI

InChI=1S/C32H39NO7S/c1-3-10-24-22-27(40-26-12-6-5-7-13-26)15-17-30(24)38-20-9-21-39-31-18-16-28(23-25(31)11-4-2)41(36,37)33-19-8-14-29(33)32(34)35/h5-7,12-13,15-18,22-23,29H,3-4,8-11,14,19-21H2,1-2H3,(H,34,35)