2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenyl]sulfonyl-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenyl]sulfonyl-2-phenyl-ethanoic acid Openeye Name: 2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenyl]sulfonyl-2-phenyl-acetic acid CAS Name: 2-[4-[4-(1-butyl-2-indolizinyl)phenyl]phenyl]sulfonyl-2-phenylacetic acid IUPAC Name: 2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenyl]sulfonyl-2-phenylacetic acid Traditional Name: 2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenyl]sulfonyl-2-phenyl-acetic acid Formula: C32H29NO4S MolecularWeight: 523.64196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC=CN2C=C1C3=CC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C(C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCCCC1=C2C=CC=CN2C=C1C3=CC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C(C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C32H29NO4S/c1-2-3-11-28-29(22-33-21-8-7-12-30(28)33)25-15-13-23(14-16-25)24-17-19-27(20-18-24)38(36,37)31(32(34)35)26-9-5-4-6-10-26/h4-10,12-22,31H,2-3,11H2,1H3,(H,34,35)