4-(1H-indol-4-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(1H-indol-4-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(1H-indol-4-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(1H-indol-4-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(1H-indol-4-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(1H-indol-4-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C29H24N4O5S2 MolecularWeight: 572.65466

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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=C5C=CNC5=CC=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=C5C=CNC5=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H24N4O5S2/c34-29(21-11-9-20(10-12-21)24-7-4-8-26-25(24)15-16-30-26)32-40(37,38)23-13-14-27(28(19-23)33(35)36)31-17-18-39-22-5-2-1-3-6-22/h1-16,19,30-31H,17-18H2,(H,32,34)