(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(2-nitrophenoxy)ethanoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(2-nitrophenoxy)ethanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C20H22N4O7S MolecularWeight: 462.47628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O7S/c1-2-3-10-23-16-9-8-14(32(21,28)29)11-15(16)22-19(23)12-31-20(25)13-30-18-7-5-4-6-17(18)24(26)27/h4-9,11H,2-3,10,12-13H2,1H3,(H2,21,28,29)