8-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]quinoline-2-carboxylic acid

Systemtic Name: 8-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]quinoline-2-carboxylic acid Openeye Name: 8-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]quinoline-2-carboxylic acid CAS Name: 8-[4-[[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylamino]-oxomethyl]phenyl]-2-quinolinecarboxylic acid IUPAC Name: 8-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]quinoline-2-carboxylic acid Traditional Name: 8-[4-[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylcarbamoyl]phenyl]quinaldic acid Formula: C31H24N4O7S2 MolecularWeight: 628.67486

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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)C(=O)O)[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)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C31H24N4O7S2/c36-30(22-11-9-20(10-12-22)25-8-4-5-21-13-15-27(31(37)38)33-29(21)25)34-44(41,42)24-14-16-26(28(19-24)35(39)40)32-17-18-43-23-6-2-1-3-7-23/h1-16,19,32H,17-18H2,(H,34,36)(H,37,38)