2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]sulfanyl-1H-benzimidazole

Systemtic Name: 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]sulfanyl-1H-benzimidazole Openeye Name: 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]sulfanyl-1H-benzimidazole CAS Name: 2-[[5-(4-methylsulfonyl-1-piperazinyl)-2-nitrophenyl]thio]-1H-benzimidazole IUPAC Name: 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]sulfanyl-1H-benzimidazole Traditional Name: 2-[[5-(4-mesylpiperazino)-2-nitro-phenyl]thio]-1H-benzimidazole Formula: C18H19N5O4S2 MolecularWeight: 433.50456

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H19N5O4S2/c1-29(26,27)22-10-8-21(9-11-22)13-6-7-16(23(24)25)17(12-13)28-18-19-14-4-2-3-5-15(14)20-18/h2-7,12H,8-11H2,1H3,(H,19,20)