(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 1-benzothiophene-2-carboxylate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 1-benzothiophene-2-carboxylate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C24H25N3O5S2 MolecularWeight: 499.6024

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C24H25N3O5S2/c1-2-9-27-20-8-7-18(34(29,30)26-10-12-31-13-11-26)15-19(20)25-23(27)16-32-24(28)22-14-17-5-3-4-6-21(17)33-22/h3-8,14-15H,2,9-13,16H2,1H3