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

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-chloranylbenzoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O4S/c1-2-3-9-23-17-8-7-15(28(21,25)26)11-16(17)22-18(23)12-27-19(24)13-5-4-6-14(20)10-13/h4-8,10-11H,2-3,9,12H2,1H3,(H2,21,25,26)