6-chloranyl-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1H-benzimidazole

Systemtic Name: 6-chloranyl-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1H-benzimidazole Openeye Name: 6-chloro-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1H-benzimidazole CAS Name: 6-chloro-2-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]thio]-1H-benzimidazole IUPAC Name: 6-chloro-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1H-benzimidazole Traditional Name: 6-chloro-2-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]thio]-1H-benzimidazole Formula: C18H19ClN5O4S2+ MolecularWeight: 468.95756

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=C(N3)C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=C(N3)C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN5O4S2/c1-22-6-8-23(9-7-22)30(27,28)13-3-5-17(16(11-13)24(25)26)29-18-20-14-4-2-12(19)10-15(14)21-18/h2-5,10-11H,6-9H2,1H3,(H,20,21)/p+1