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

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 3,5-dimethylbenzoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC(=CC(=C4)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C23H27N3O5S/c1-4-26-21-6-5-19(32(28,29)25-7-9-30-10-8-25)14-20(21)24-22(26)15-31-23(27)18-12-16(2)11-17(3)13-18/h5-6,11-14H,4,7-10,15H2,1-3H3