2-[[3-[3-[(oxolan-2-ylmethylamino)methyl]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-[3-[(oxolan-2-ylmethylamino)methyl]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-phenyl-2-[[3-[3-[(tetrahydrofuran-2-ylmethylamino)methyl]phenyl]phenyl]sulfonylamino]propanoic acid CAS Name: 2-[[3-[3-[(2-oxolanylmethylamino)methyl]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-[3-[(oxolan-2-ylmethylamino)methyl]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-phenyl-2-[[3-[3-[(tetrahydrofurfurylamino)methyl]phenyl]phenyl]sulfonylamino]propionic acid Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNCC2=CC=CC(=C2)C3=CC(=CC=C3)S(=O)(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(OC1)CNCC2=CC=CC(=C2)C3=CC(=CC=C3)S(=O)(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H30N2O5S/c30-27(31)26(16-20-7-2-1-3-8-20)29-35(32,33)25-13-5-11-23(17-25)22-10-4-9-21(15-22)18-28-19-24-12-6-14-34-24/h1-5,7-11,13,15,17,24,26,28-29H,6,12,14,16,18-19H2,(H,30,31)