4-[2-(4-bromophenyl)sulfanylethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(4-bromophenyl)sulfanylethylamino]-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(4-bromophenyl)sulfanylethylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[2-[(4-bromophenyl)thio]ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(4-bromophenyl)sulfanylethylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[2-[(4-bromophenyl)thio]ethylamino]-3-nitro-benzenesulfonamide Formula: C14H14BrN3O4S2 MolecularWeight: 432.31266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1SCCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])Br

InChI

InChI=1S/C14H14BrN3O4S2/c15-10-1-3-11(4-2-10)23-8-7-17-13-6-5-12(24(16,21)22)9-14(13)18(19)20/h1-6,9,17H,7-8H2,(H2,16,21,22)