(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 3-methylthiophene-2-carboxylate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 3-methylthiophene-2-carboxylate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 3-methylthiophene-2-carboxylate CAS Name: 3-methyl-2-thiophenecarboxylic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 3-methylthiophene-2-carboxylate Traditional Name: 3-methylthiophene-2-carboxylic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=C(C=CS4)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=C(C=CS4)C

InChI

InChI=1S/C21H25N3O5S2/c1-3-7-24-18-5-4-16(31(26,27)23-8-10-28-11-9-23)13-17(18)22-19(24)14-29-21(25)20-15(2)6-12-30-20/h4-6,12-13H,3,7-11,14H2,1-2H3