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

Systemtic Name: 1-[3-chloranyl-4-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[3-chloro-4-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[3-chloro-4-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-chloro-4-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[3-chloro-4-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]phenyl]sulfonylproline Formula: C29H32ClNO7S MolecularWeight: 574.08488

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H32ClNO7S/c1-2-8-21-19-23(38-22-9-4-3-5-10-22)12-14-27(21)36-17-7-18-37-28-15-13-24(20-25(28)30)39(34,35)31-16-6-11-26(31)29(32)33/h3-5,9-10,12-15,19-20,26H,2,6-8,11,16-18H2,1H3,(H,32,33)