(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-[(4-fluorophenyl)carbonylamino]ethanoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-[(4-fluorophenyl)carbonylamino]ethanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-[(4-fluorobenzoyl)amino]acetate CAS Name: 2-[[(4-fluorophenyl)-oxomethyl]amino]acetic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(4-fluorobenzoyl)amino]acetate Traditional Name: 2-[(4-fluorobenzoyl)amino]acetic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C21H23FN4O5S MolecularWeight: 462.494523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4O5S/c1-2-3-10-26-18-9-8-16(32(23,29)30)11-17(18)25-19(26)13-31-20(27)12-24-21(28)14-4-6-15(22)7-5-14/h4-9,11H,2-3,10,12-13H2,1H3,(H,24,28)(H2,23,29,30)