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

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 3,4-dimethylbenzoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 3,4-dimethylbenzoate Traditional Name: 3,4-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(=C(C=C4)C)C

Isomeric SMILES

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

InChI

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