(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl pyridine-4-carboxylate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl pyridine-4-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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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=NC=C3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H20N4O4S/c1-2-3-10-22-16-5-4-14(27(19,24)25)11-15(16)21-17(22)12-26-18(23)13-6-8-20-9-7-13/h4-9,11H,2-3,10,12H2,1H3,(H2,19,24,25)