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

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl (E)-3-(4-methylphenyl)prop-2-enoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl (E)-3-(p-tolyl)prop-2-enoate CAS Name: (E)-3-(4-methylphenyl)-2-propenoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl (E)-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(p-tolyl)acrylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-3-4-13-25-20-11-10-18(30(23,27)28)14-19(20)24-21(25)15-29-22(26)12-9-17-7-5-16(2)6-8-17/h5-12,14H,3-4,13,15H2,1-2H3,(H2,23,27,28)/b12-9+