(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-(trifluoromethyl)phenyl]-2-propenoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(trifluoromethyl)phenyl]acrylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C22H22F3N3O4S MolecularWeight: 481.48799

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)C=CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H22F3N3O4S/c1-2-3-11-28-19-9-8-17(33(26,30)31)13-18(19)27-20(28)14-32-21(29)10-7-15-5-4-6-16(12-15)22(23,24)25/h4-10,12-13H,2-3,11,14H2,1H3,(H2,26,30,31)/b10-7+