4-(5-fluoranylquinolin-8-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(5-fluoranylquinolin-8-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(5-fluoro-8-quinolyl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(5-fluoro-8-quinolinyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(5-fluoroquinolin-8-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(5-fluoro-8-quinolyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C30H23FN4O5S2 MolecularWeight: 602.655823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=C5C(=C(C=C4)F)C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=C5C(=C(C=C4)F)C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C30H23FN4O5S2/c31-26-14-13-24(29-25(26)7-4-16-33-29)20-8-10-21(11-9-20)30(36)34-42(39,40)23-12-15-27(28(19-23)35(37)38)32-17-18-41-22-5-2-1-3-6-22/h1-16,19,32H,17-18H2,(H,34,36)