1-ethyl-2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-benzimidazole

Systemtic Name: 1-ethyl-2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-benzimidazole Openeye Name: 1-ethyl-2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-benzimidazole CAS Name: 1-ethyl-2-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]thio]benzimidazole IUPAC Name: 1-ethyl-2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]sulfanylbenzimidazole Traditional Name: 1-ethyl-2-[[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]thio]benzimidazole Formula: C20H23N5O4S2 MolecularWeight: 461.55772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4S2/c1-3-24-17-7-5-4-6-16(17)21-20(24)30-19-9-8-15(14-18(19)25(26)27)31(28,29)23-12-10-22(2)11-13-23/h4-9,14H,3,10-13H2,1-2H3