(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 3,4-dimethylbenzoate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 3,4-dimethylbenzoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O5S/c1-4-9-27-22-8-7-20(33(29,30)26-10-12-31-13-11-26)15-21(22)25-23(27)16-32-24(28)19-6-5-17(2)18(3)14-19/h5-8,14-15H,4,9-13,16H2,1-3H3