N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(1-oxidanylidene-2,3-dihydroinden-5-yl)benzamide

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(1-oxidanylidene-2,3-dihydroinden-5-yl)benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(1-oxoindan-5-yl)benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(1-oxo-2,3-dihydroinden-5-yl)benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(1-oxo-2,3-dihydroinden-5-yl)benzamide Traditional Name: 4-(1-ketoindan-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C30H25N3O6S2 MolecularWeight: 587.666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2=C1C=C(C=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)C2=C1C=C(C=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H25N3O6S2/c34-29-15-11-23-18-22(10-13-26(23)29)20-6-8-21(9-7-20)30(35)32-41(38,39)25-12-14-27(28(19-25)33(36)37)31-16-17-40-24-4-2-1-3-5-24/h1-10,12-14,18-19,31H,11,15-17H2,(H,32,35)