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

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 4-(hydroxymethyl)benzoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6S/c1-2-25-20-8-7-18(32(28,29)24-9-11-30-12-10-24)13-19(20)23-21(25)15-31-22(27)17-5-3-16(14-26)4-6-17/h3-8,13,26H,2,9-12,14-15H2,1H3