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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-quinolin-2-yl-benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(2-quinolyl)benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(2-quinolinyl)benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-quinolin-2-ylbenzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(2-quinolyl)benzamide Formula: C30H24N4O5S2 MolecularWeight: 584.66536

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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=NC5=CC=CC=C5C=C4)[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=NC5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H24N4O5S2/c35-30(23-12-10-22(11-13-23)27-16-14-21-6-4-5-9-26(21)32-27)33-41(38,39)25-15-17-28(29(20-25)34(36)37)31-18-19-40-24-7-2-1-3-8-24/h1-17,20,31H,18-19H2,(H,33,35)