methyl 2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenyl]sulfonyl-2-phenyl-ethanoate

Systemtic Name: methyl 2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenyl]sulfonyl-2-phenyl-ethanoate Openeye Name: methyl 2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenyl]sulfonyl-2-phenyl-acetate CAS Name: 2-[4-[4-(1-butyl-2-indolizinyl)phenyl]phenyl]sulfonyl-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenyl]sulfonyl-2-phenylacetate Traditional Name: 2-[4-[4-(1-butylindolizin-2-yl)phenyl]phenyl]sulfonyl-2-phenyl-acetic acid methyl ester Formula: C33H31NO4S MolecularWeight: 537.66854

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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)OC

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)OC

InChI

InChI=1S/C33H31NO4S/c1-3-4-12-29-30(23-34-22-9-8-13-31(29)34)26-16-14-24(15-17-26)25-18-20-28(21-19-25)39(36,37)32(33(35)38-2)27-10-6-5-7-11-27/h5-11,13-23,32H,3-4,12H2,1-2H3