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

Systemtic Name: 1-[4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-[3-(4-phenoxy-2-propylphenoxy)propylthio]phenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[3-(4-phenoxy-2-propylphenoxy)propylsulfanyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[3-(4-phenoxy-2-propyl-phenoxy)propylthio]phenyl]sulfonylproline Formula: C29H33NO6S2 MolecularWeight: 555.70542

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCSC3=CC=C(C=C3)S(=O)(=O)N4CCCC4C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCSC3=CC=C(C=C3)S(=O)(=O)N4CCCC4C(=O)O

InChI

InChI=1S/C29H33NO6S2/c1-2-8-22-21-24(36-23-9-4-3-5-10-23)12-17-28(22)35-19-7-20-37-25-13-15-26(16-14-25)38(33,34)30-18-6-11-27(30)29(31)32/h3-5,9-10,12-17,21,27H,2,6-8,11,18-20H2,1H3,(H,31,32)