(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-[methyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[methyl(tosyl)amino]benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O5S/c1-17-8-14-21(15-9-17)33(29,30)27(2)20-12-10-19(11-13-20)24(28)31-16-22-25-23(26-32-22)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3