N-[2-[[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-phenyl]amino]ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-phenyl]amino]ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-anilino]ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[3-(1H-benzimidazol-2-ylthio)-4-nitroanilino]ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitroanilino]ethyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[3-(1H-benzimidazol-2-ylthio)-4-nitro-anilino]ethyl]-4-methyl-benzenesulfonamide Formula: C22H21N5O4S2 MolecularWeight: 483.56324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCNC2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCNC2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H21N5O4S2/c1-15-6-9-17(10-7-15)33(30,31)24-13-12-23-16-8-11-20(27(28)29)21(14-16)32-22-25-18-4-2-3-5-19(18)26-22/h2-11,14,23-24H,12-13H2,1H3,(H,25,26)