(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 3-oxidanylnaphthalene-2-carboxylate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 3-oxidanylnaphthalene-2-carboxylate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxynaphthalene-2-carboxylic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC5=CC=CC=C5C=C4O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC5=CC=CC=C5C=C4O

InChI

InChI=1S/C25H25N3O6S/c1-2-28-22-8-7-19(35(31,32)27-9-11-33-12-10-27)15-21(22)26-24(28)16-34-25(30)20-13-17-5-3-4-6-18(17)14-23(20)29/h3-8,13-15,29H,2,9-12,16H2,1H3