2-[[4-[4-(1-butylindolizin-2-yl)phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[4-(1-butylindolizin-2-yl)phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-[4-(1-butylindolizin-2-yl)phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[4-[4-(1-butyl-2-indolizinyl)phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-[4-(1-butylindolizin-2-yl)phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[[4-[4-(1-butylindolizin-2-yl)phenyl]phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C33H32N2O4S MolecularWeight: 552.68318

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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)NC(CC5=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)NC(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C33H32N2O4S/c1-2-3-11-29-30(23-35-21-8-7-12-32(29)35)27-15-13-25(14-16-27)26-17-19-28(20-18-26)40(38,39)34-31(33(36)37)22-24-9-5-4-6-10-24/h4-10,12-21,23,31,34H,2-3,11,22H2,1H3,(H,36,37)