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

Systemtic Name: 1-[4-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]phenyl]sulfonylazetidine-2-carboxylic acid Openeye Name: 1-[4-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]phenyl]sulfonylazetidine-2-carboxylic acid CAS Name: 1-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]sulfonyl-2-azetidinecarboxylic acid IUPAC Name: 1-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]sulfonylazetidine-2-carboxylic acid Traditional Name: 1-[4-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]phenyl]sulfonylazetidine-2-carboxylic acid Formula: C28H31NO7S MolecularWeight: 525.61324

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCOC3=CC=C(C=C3)S(=O)(=O)N4CCC4C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCOC3=CC=C(C=C3)S(=O)(=O)N4CCC4C(=O)O

InChI

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