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

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl (E)-3-(2-ethoxyphenyl)prop-2-enoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl (E)-3-(2-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2-ethoxyphenyl)-2-propenoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl (E)-3-(2-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-o-phenetylacrylic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C=CC4=CC=CC=C4OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)/C=C/C4=CC=CC=C4OCC

InChI

InChI=1S/C25H29N3O6S/c1-3-28-22-11-10-20(35(30,31)27-13-15-32-16-14-27)17-21(22)26-24(28)18-34-25(29)12-9-19-7-5-6-8-23(19)33-4-2/h5-12,17H,3-4,13-16,18H2,1-2H3/b12-9+