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

Systemtic Name: 1-[4-[2-(4-phenoxy-2-propyl-phenoxy)ethoxy]phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[2-(4-phenoxy-2-propyl-phenoxy)ethoxy]phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-[2-(4-phenoxy-2-propylphenoxy)ethoxy]phenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[2-(4-phenoxy-2-propylphenoxy)ethoxy]phenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[2-(4-phenoxy-2-propyl-phenoxy)ethoxy]phenyl]sulfonylproline Formula: C28H31NO7S MolecularWeight: 525.61324

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCOC3=CC=C(C=C3)S(=O)(=O)N4CCCC4C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCOC3=CC=C(C=C3)S(=O)(=O)N4CCCC4C(=O)O

InChI

InChI=1S/C28H31NO7S/c1-2-7-21-20-24(36-23-8-4-3-5-9-23)13-16-27(21)35-19-18-34-22-11-14-25(15-12-22)37(32,33)29-17-6-10-26(29)28(30)31/h3-5,8-9,11-16,20,26H,2,6-7,10,17-19H2,1H3,(H,30,31)