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

Systemtic Name: 1-[4-[3-(4-phenoxy-2-propyl-phenoxy)propyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[3-(4-phenoxy-2-propyl-phenoxy)propyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-[3-(4-phenoxy-2-propylphenoxy)propyl]phenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[3-(4-phenoxy-2-propylphenoxy)propyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[3-(4-phenoxy-2-propyl-phenoxy)propyl]phenyl]sulfonylproline Formula: C29H33NO6S MolecularWeight: 523.64042

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4C(=O)O

InChI

InChI=1S/C29H33NO6S/c1-2-8-23-21-25(36-24-10-4-3-5-11-24)15-18-28(23)35-20-7-9-22-13-16-26(17-14-22)37(33,34)30-19-6-12-27(30)29(31)32/h3-5,10-11,13-18,21,27H,2,6-9,12,19-20H2,1H3,(H,31,32)