(phenylmethyl) 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: (phenylmethyl) 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: benzyl 4-[methyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[methyl(tosyl)amino]benzoic acid benzyl ester Formula: C22H21NO4S MolecularWeight: 395.47144

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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=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO4S/c1-17-8-14-21(15-9-17)28(25,26)23(2)20-12-10-19(11-13-20)22(24)27-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3