2-[(4-methylphenyl)sulfonylamino]-3-[3-[4-(piperidin-4-ylmethoxy)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-3-[3-[4-(piperidin-4-ylmethoxy)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid Openeye Name: 3-[3-[4-(4-piperidylmethoxy)phenyl]-4,5-dihydroisoxazol-5-yl]-2-(p-tolylsulfonylamino)propanoic acid CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-[3-[4-(4-piperidinylmethoxy)phenyl]-4,5-dihydroisoxazol-5-yl]propanoic acid IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-3-[3-[4-(piperidin-4-ylmethoxy)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid Traditional Name: 3-[3-[4-(4-piperidylmethoxy)phenyl]-2-isoxazolin-5-yl]-2-(tosylamino)propionic acid Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2CC(=NO2)C3=CC=C(C=C3)OCC4CCNCC4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2CC(=NO2)C3=CC=C(C=C3)OCC4CCNCC4)C(=O)O

InChI

InChI=1S/C25H31N3O6S/c1-17-2-8-22(9-3-17)35(31,32)28-24(25(29)30)15-21-14-23(27-34-21)19-4-6-20(7-5-19)33-16-18-10-12-26-13-11-18/h2-9,18,21,24,26,28H,10-16H2,1H3,(H,29,30)