4-[2-(4-ethanoylpiperazin-1-yl)quinolin-8-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[2-(4-ethanoylpiperazin-1-yl)quinolin-8-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[2-(4-acetylpiperazin-1-yl)-8-quinolyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[2-(4-acetyl-1-piperazinyl)-8-quinolinyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[2-(4-acetylpiperazin-1-yl)quinolin-8-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[2-(4-acetylpiperazino)-8-quinolyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C36H34N6O6S2 MolecularWeight: 710.82176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC3=C(C=CC=C3C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-])C=C2

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC3=C(C=CC=C3C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-])C=C2

InChI

InChI=1S/C36H34N6O6S2/c1-25(43)40-19-21-41(22-20-40)34-17-14-27-6-5-9-31(35(27)38-34)26-10-12-28(13-11-26)36(44)39-50(47,48)30-15-16-32(33(24-30)42(45)46)37-18-23-49-29-7-3-2-4-8-29/h2-17,24,37H,18-23H2,1H3,(H,39,44)