[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl (E)-3-(3-fluorophenyl)prop-2-enoate

Systemtic Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl (E)-3-(3-fluorophenyl)prop-2-enoate Openeye Name: [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl (E)-3-(3-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(3-fluorophenyl)-2-propenoic acid [5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl (E)-3-(3-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(3-fluorophenyl)acrylic acid [5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl ester Formula: C22H24FN3O4S MolecularWeight: 445.507063

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)C=CC3=CC(=CC=C3)F

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)/C=C/C3=CC(=CC=C3)F

InChI

InChI=1S/C22H24FN3O4S/c1-4-12-26-20-10-9-18(31(28,29)25(2)3)14-19(20)24-21(26)15-30-22(27)11-8-16-6-5-7-17(23)13-16/h5-11,13-14H,4,12,15H2,1-3H3/b11-8+