(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-nitrobenzoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-nitrobenzoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C19H20N4O6S MolecularWeight: 432.4503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O6S/c1-2-3-9-22-17-8-7-15(30(20,27)28)11-16(17)21-18(22)12-29-19(24)13-5-4-6-14(10-13)23(25)26/h4-8,10-11H,2-3,9,12H2,1H3,(H2,20,27,28)