(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(3-fluorophenyl)-2-propenoic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(3-fluorophenyl)acrylic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C24H26FN3O5S MolecularWeight: 487.543743

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C=CC4=CC(=CC=C4)F

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)/C=C/C4=CC(=CC=C4)F

InChI

InChI=1S/C24H26FN3O5S/c1-2-10-28-22-8-7-20(34(30,31)27-11-13-32-14-12-27)16-21(22)26-23(28)17-33-24(29)9-6-18-4-3-5-19(25)15-18/h3-9,15-16H,2,10-14,17H2,1H3/b9-6+