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

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 2-methylfuran-3-carboxylate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 2-methylfuran-3-carboxylate CAS Name: 2-methyl-3-furancarboxylic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 2-methylfuran-3-carboxylate Traditional Name: 2-methylfuran-3-carboxylic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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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(OC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-3-7-24-19-5-4-16(31(26,27)23-8-11-28-12-9-23)13-18(19)22-20(24)14-30-21(25)17-6-10-29-15(17)2/h4-6,10,13H,3,7-9,11-12,14H2,1-2H3