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

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 4-thiophen-2-ylbutanoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CCCC4=CC=CS4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C23H29N3O5S2/c1-2-10-26-21-9-8-19(33(28,29)25-11-13-30-14-12-25)16-20(21)24-22(26)17-31-23(27)7-3-5-18-6-4-15-32-18/h4,6,8-9,15-16H,2-3,5,7,10-14,17H2,1H3