N-[(3E)-3-[[[4-(aminomethyl)phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1H-indol-5-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[(3E)-3-[[[4-(aminomethyl)phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1H-indol-5-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[(3E)-3-[[4-(aminomethyl)anilino]-phenyl-methylene]-2-oxo-indolin-5-yl]-3-nitro-benzenesulfonamide CAS Name: N-[(3E)-3-[[4-(aminomethyl)anilino]-phenylmethylidene]-2-oxo-1H-indol-5-yl]-3-nitrobenzenesulfonamide IUPAC Name: N-[(3E)-3-[[4-(aminomethyl)anilino]-phenylmethylidene]-2-oxo-1H-indol-5-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[(3E)-3-[[4-(aminomethyl)anilino]-phenyl-methylene]-2-keto-indolin-5-yl]-3-nitro-benzenesulfonamide Formula: C28H23N5O5S MolecularWeight: 541.57772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])NC2=O)NC5=CC=C(C=C5)CN

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\2/C3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])NC2=O)/NC5=CC=C(C=C5)CN

InChI

InChI=1S/C28H23N5O5S/c29-17-18-9-11-20(12-10-18)30-27(19-5-2-1-3-6-19)26-24-15-21(13-14-25(24)31-28(26)34)32-39(37,38)23-8-4-7-22(16-23)33(35)36/h1-16,30,32H,17,29H2,(H,31,34)/b27-26+