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

Systemtic Name: 4-[2-(hydroxymethyl)quinolin-8-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[2-(hydroxymethyl)-8-quinolyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[2-(hydroxymethyl)-8-quinolinyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[2-(hydroxymethyl)quinolin-8-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(2-methylol-8-quinolyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C31H26N4O6S2 MolecularWeight: 614.69134

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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=CC=CC5=C4N=C(C=C5)CO)[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=CC=CC5=C4N=C(C=C5)CO)[N+](=O)[O-]

InChI

InChI=1S/C31H26N4O6S2/c36-20-24-14-13-22-5-4-8-27(30(22)33-24)21-9-11-23(12-10-21)31(37)34-43(40,41)26-15-16-28(29(19-26)35(38)39)32-17-18-42-25-6-2-1-3-7-25/h1-16,19,32,36H,17-18,20H2,(H,34,37)