[4-(3-fluorophenyl)piperazin-1-yl]-(6-morpholin-4-ylsulfonyl-2-pyridin-2-yl-quinolin-4-yl)methanone

Systemtic Name: [4-(3-fluorophenyl)piperazin-1-yl]-(6-morpholin-4-ylsulfonyl-2-pyridin-2-yl-quinolin-4-yl)methanone Openeye Name: [4-(3-fluorophenyl)piperazin-1-yl]-[6-morpholinosulfonyl-2-(2-pyridyl)-4-quinolyl]methanone CAS Name: [4-(3-fluorophenyl)-1-piperazinyl]-[6-(4-morpholinylsulfonyl)-2-(2-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-(3-fluorophenyl)piperazin-1-yl]-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone Traditional Name: [4-(3-fluorophenyl)piperazino]-[6-morpholinosulfonyl-2-(2-pyridyl)-4-quinolyl]methanone Formula: C29H28FN5O4S MolecularWeight: 561.627123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)F)C(=O)C3=CC(=NC4=C3C=C(C=C4)S(=O)(=O)N5CCOCC5)C6=CC=CC=N6

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)F)C(=O)C3=CC(=NC4=C3C=C(C=C4)S(=O)(=O)N5CCOCC5)C6=CC=CC=N6

InChI

InChI=1S/C29H28FN5O4S/c30-21-4-3-5-22(18-21)33-10-12-34(13-11-33)29(36)25-20-28(27-6-1-2-9-31-27)32-26-8-7-23(19-24(25)26)40(37,38)35-14-16-39-17-15-35/h1-9,18-20H,10-17H2