(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 3-thiophen-3-ylpropanoate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 3-thiophen-3-ylpropanoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CCC4=CSC=C4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CCC4=CSC=C4

InChI

InChI=1S/C22H27N3O5S2/c1-2-8-25-20-5-4-18(32(27,28)24-9-11-29-12-10-24)14-19(20)23-21(25)15-30-22(26)6-3-17-7-13-31-16-17/h4-5,7,13-14,16H,2-3,6,8-12,15H2,1H3