3-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid

Systemtic Name: 3-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid Openeye Name: 3-[[5-(3-quinolylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid CAS Name: 3-[[5-(3-quinolinylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid IUPAC Name: 3-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid Traditional Name: 3-[[5-(3-quinolylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=NC=C2)NC3=CC4=CC=CC=C4N=C3)S(=O)(=O)C5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CN(CC2=C1C(=NC=C2)NC3=CC4=CC=CC=C4N=C3)S(=O)(=O)C5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C24H20N4O4S/c29-24(30)17-5-3-6-20(13-17)33(31,32)28-11-9-21-18(15-28)8-10-25-23(21)27-19-12-16-4-1-2-7-22(16)26-14-19/h1-8,10,12-14H,9,11,15H2,(H,25,27)(H,29,30)