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

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 4-oxidanylbenzoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6S/c1-2-24-19-8-7-17(31(27,28)23-9-11-29-12-10-23)13-18(19)22-20(24)14-30-21(26)15-3-5-16(25)6-4-15/h3-8,13,25H,2,9-12,14H2,1H3