5,6-dimethyl-1-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole

Systemtic Name: 5,6-dimethyl-1-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole Openeye Name: 5,6-dimethyl-1-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole CAS Name: 5,6-dimethyl-1-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]benzimidazole IUPAC Name: 5,6-dimethyl-1-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole Traditional Name: 5,6-dimethyl-1-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]benzimidazole Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CN3C=NC4=C3C=C(C(=C4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CN3C=NC4=C3C=C(C(=C4)C)C

InChI

InChI=1S/C21H25N5O4S/c1-15-4-5-18(26(27)28)12-21(15)31(29,30)25-8-6-23(7-9-25)14-24-13-22-19-10-16(2)17(3)11-20(19)24/h4-5,10-13H,6-9,14H2,1-3H3