methyl 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(3-morpholinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[3-(4-morpholinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(3-morpholinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H21N3O6S2/c1-28-20(25)16-7-5-15(6-8-16)14-31-21-23-22-19(30-21)17-3-2-4-18(13-17)32(26,27)24-9-11-29-12-10-24/h2-8,13H,9-12,14H2,1H3