(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O6S/c1-15-7-8-17(31(26,27)24-9-11-28-12-10-24)13-18(15)21(25)29-14-19-22-23-20(30-19)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3