3-phenyl-2-[[3-[3-(propylaminomethyl)phenyl]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[[3-[3-(propylaminomethyl)phenyl]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[3-[3-(propylaminomethyl)phenyl]phenyl]sulfonylamino]propanoic acid CAS Name: 3-phenyl-2-[[3-[3-(propylaminomethyl)phenyl]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-phenyl-2-[[3-[3-(propylaminomethyl)phenyl]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-phenyl-2-[[3-[3-(propylaminomethyl)phenyl]phenyl]sulfonylamino]propionic acid Formula: C25H28N2O4S MolecularWeight: 452.56582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CC=CC(=C1)C2=CC(=CC=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCNCC1=CC=CC(=C1)C2=CC(=CC=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H28N2O4S/c1-2-14-26-18-20-10-6-11-21(15-20)22-12-7-13-23(17-22)32(30,31)27-24(25(28)29)16-19-8-4-3-5-9-19/h3-13,15,17,24,26-27H,2,14,16,18H2,1H3,(H,28,29)