3-[4-[(8-oxidanyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(8-oxidanyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]propanoic acid Openeye Name: 3-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]propanoic acid CAS Name: 3-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]propanoic acid Traditional Name: 3-[4-[(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]propionic acid Formula: C18H19NO5S MolecularWeight: 361.41216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC=C2)O)N(C1)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1CC2=C(C(=CC=C2)O)N(C1)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C18H19NO5S/c20-16-5-1-3-14-4-2-12-19(18(14)16)25(23,24)15-9-6-13(7-10-15)8-11-17(21)22/h1,3,5-7,9-10,20H,2,4,8,11-12H2,(H,21,22)