(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C22H27N5O4S MolecularWeight: 457.54588

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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(N=CC=C3)N4CCCC4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=C(N=CC=C3)N4CCCC4

InChI

InChI=1S/C22H27N5O4S/c1-2-3-13-27-19-9-8-16(32(23,29)30)14-18(19)25-20(27)15-31-22(28)17-7-6-10-24-21(17)26-11-4-5-12-26/h6-10,14H,2-5,11-13,15H2,1H3,(H2,23,29,30)