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

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-methoxyphenyl)-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-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxyphenyl)acrylic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O6S/c1-3-12-28-23-10-9-21(35(30,31)27-13-15-33-16-14-27)17-22(23)26-24(28)18-34-25(29)11-6-19-4-7-20(32-2)8-5-19/h4-11,17H,3,12-16,18H2,1-2H3/b11-6+