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

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl (E)-3-(2-furyl)prop-2-enoate CAS Name: (E)-3-(2-furanyl)-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-(furan-2-yl)prop-2-enoate Traditional Name: (E)-3-(2-furyl)acrylic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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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=CO4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)/C=C/C4=CC=CO4

InChI

InChI=1S/C22H25N3O6S/c1-2-9-25-20-7-6-18(32(27,28)24-10-13-29-14-11-24)15-19(20)23-21(25)16-31-22(26)8-5-17-4-3-12-30-17/h3-8,12,15H,2,9-11,13-14,16H2,1H3/b8-5+