3-[[7-[(1,3-diazinan-2-ylamino)methyl]-6,8-bis(fluoranyl)-1-methyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[7-[(1,3-diazinan-2-ylamino)methyl]-6,8-bis(fluoranyl)-1-methyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[6,8-difluoro-7-[(hexahydropyrimidin-2-ylamino)methyl]-1-methyl-4-oxo-quinoline-3-carbonyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[[7-[(1,3-diazinan-2-ylamino)methyl]-6,8-difluoro-1-methyl-4-oxo-3-quinolinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[7-[(1,3-diazinan-2-ylamino)methyl]-6,8-difluoro-1-methyl-4-oxoquinoline-3-carbonyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[6,8-difluoro-7-[(hexahydropyrimidin-2-ylamino)methyl]-4-keto-1-methyl-quinoline-3-carbonyl]amino]propionic acid Formula: C25H28F2N6O6S MolecularWeight: 578.588226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C(=C21)F)CNC3NCCCN3)F)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C(=C21)F)CNC3NCCCN3)F)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H28F2N6O6S/c1-33-13-17(23(35)30-12-19(24(36)37)32-40(38,39)14-6-3-2-4-7-14)22(34)15-10-18(26)16(20(27)21(15)33)11-31-25-28-8-5-9-29-25/h2-4,6-7,10,13,19,25,28-29,31-32H,5,8-9,11-12H2,1H3,(H,30,35)(H,36,37)