(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl (E)-3-(3-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(3-fluorophenyl)-2-propenoic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(3-fluorophenyl)acrylic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C24H26FN3O4S MolecularWeight: 471.544343

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C=CC4=CC(=CC=C4)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)/C=C/C4=CC(=CC=C4)F

InChI

InChI=1S/C24H26FN3O4S/c1-2-28-22-11-10-20(33(30,31)27-13-4-3-5-14-27)16-21(22)26-23(28)17-32-24(29)12-9-18-7-6-8-19(25)15-18/h6-12,15-16H,2-5,13-14,17H2,1H3/b12-9+