[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl ester Formula: C20H26N6O6S MolecularWeight: 478.52204

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N6O6S/c1-6-9-24-17-8-7-15(33(30,31)23(4)5)10-16(17)21-18(24)12-32-19(27)11-25-14(3)20(26(28)29)13(2)22-25/h7-8,10H,6,9,11-12H2,1-5H3