5,6-dimethyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)benzimidazole

Systemtic Name: 5,6-dimethyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)benzimidazole Openeye Name: 5,6-dimethyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)benzimidazole CAS Name: 5,6-dimethyl-1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]benzimidazole IUPAC Name: 5,6-dimethyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)benzimidazole Traditional Name: 5,6-dimethyl-1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)benzimidazole Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-13-9-16-18(10-14(13)2)22(12-20-16)17-6-5-15(11-19(17)23(24)25)28(26,27)21-7-3-4-8-21/h5-6,9-12H,3-4,7-8H2,1-2H3