(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl (E)-pent-2-enoate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl (E)-pent-2-enoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl (E)-pent-2-enoate CAS Name: (E)-2-pentenoic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C=CCC

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-3-5-6-20(24)28-15-19-21-17-14-16(7-8-18(17)23(19)9-4-2)29(25,26)22-10-12-27-13-11-22/h5-8,14H,3-4,9-13,15H2,1-2H3/b6-5+