N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[5-(3-oxidanylidene-3-piperidin-1-yl-propyl)quinolin-8-yl]benzamide

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[5-(3-oxidanylidene-3-piperidin-1-yl-propyl)quinolin-8-yl]benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[5-[3-oxo-3-(1-piperidyl)propyl]-8-quinolyl]benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[5-[3-oxo-3-(1-piperidinyl)propyl]-8-quinolinyl]benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[5-(3-oxo-3-piperidin-1-ylpropyl)quinolin-8-yl]benzamide Traditional Name: 4-[5-(3-keto-3-piperidino-propyl)-8-quinolyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C38H37N5O6S2 MolecularWeight: 723.86028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCC2=C3C=CC=NC3=C(C=C2)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CCC2=C3C=CC=NC3=C(C=C2)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C38H37N5O6S2/c44-36(42-23-5-2-6-24-42)20-16-28-15-18-33(37-32(28)10-7-21-40-37)27-11-13-29(14-12-27)38(45)41-51(48,49)31-17-19-34(35(26-31)43(46)47)39-22-25-50-30-8-3-1-4-9-30/h1,3-4,7-15,17-19,21,26,39H,2,5-6,16,20,22-25H2,(H,41,45)