(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxyphenyl)-2-propenoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-p-phenetylacrylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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=C(C=C3)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5S/c1-3-5-14-26-21-12-11-19(32(24,28)29)15-20(21)25-22(26)16-31-23(27)13-8-17-6-9-18(10-7-17)30-4-2/h6-13,15H,3-5,14,16H2,1-2H3,(H2,24,28,29)/b13-8+