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

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl (E)-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-3-(4-propan-2-ylphenyl)-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-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-3-p-cumenylacrylic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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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=C(C=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O5S/c1-4-29-24-11-10-22(35(31,32)28-13-15-33-16-14-28)17-23(24)27-25(29)18-34-26(30)12-7-20-5-8-21(9-6-20)19(2)3/h5-12,17,19H,4,13-16,18H2,1-3H3/b12-7+