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

Systemtic Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl (E)-3-(3-fluorophenyl)prop-2-enoate Openeye Name: [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl (E)-3-(3-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(3-fluorophenyl)-2-propenoic acid [5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]methyl ester IUPAC Name: [5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl (E)-3-(3-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(3-fluorophenyl)acrylic acid [5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl ester Formula: C21H22FN3O4S MolecularWeight: 431.480483

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)C=CC3=CC(=CC=C3)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)/C=C/C3=CC(=CC=C3)F

InChI

InChI=1S/C21H22FN3O4S/c1-4-25-19-10-9-17(30(27,28)24(2)3)13-18(19)23-20(25)14-29-21(26)11-8-15-6-5-7-16(22)12-15/h5-13H,4,14H2,1-3H3/b11-8+