(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-chloranyl-4-nitro-benzoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C19H19ClN4O6S MolecularWeight: 466.89536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O6S/c1-2-3-8-23-17-7-5-13(31(21,28)29)10-16(17)22-18(23)11-30-19(25)14-6-4-12(24(26)27)9-15(14)20/h4-7,9-10H,2-3,8,11H2,1H3,(H2,21,28,29)