[2-[1-(4-methylphenyl)sulfonyl-4-oxidanylidene-2,3-dihydroquinolin-3-yl]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[1-(4-methylphenyl)sulfonyl-4-oxidanylidene-2,3-dihydroquinolin-3-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[4-oxo-1-(p-tolylsulfonyl)-2,3-dihydroquinolin-3-yl]-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinolin-3-yl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinolin-3-yl]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(4-keto-1-tosyl-2,3-dihydroquinolin-3-yl)-1-phosphono-ethyl]phosphonic acid Formula: C18H21NO9P2S MolecularWeight: 489.373162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(=O)C3=CC=CC=C32)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(=O)C3=CC=CC=C32)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C18H21NO9P2S/c1-12-6-8-14(9-7-12)31(27,28)19-11-13(10-17(29(21,22)23)30(24,25)26)18(20)15-4-2-3-5-16(15)19/h2-9,13,17H,10-11H2,1H3,(H2,21,22,23)(H2,24,25,26)