(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl benzoate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl benzoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl benzoate CAS Name: benzoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl benzoate Traditional Name: benzoic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-2-24-19-9-8-17(30(26,27)23-10-12-28-13-11-23)14-18(19)22-20(24)15-29-21(25)16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3