(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-oxidanylbenzoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-oxidanylbenzoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-2-3-9-22-17-8-7-15(28(20,25)26)11-16(17)21-18(22)12-27-19(24)13-5-4-6-14(23)10-13/h4-8,10-11,23H,2-3,9,12H2,1H3,(H2,20,25,26)