(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-chloranyl-3-nitro-benzoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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