[2-(tert-butylamino)-2-oxidanylidene-ethyl] 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 4-[methyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[methyl(tosyl)amino]benzoic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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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)OCC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C21H26N2O5S/c1-15-6-12-18(13-7-15)29(26,27)23(5)17-10-8-16(9-11-17)20(25)28-14-19(24)22-21(2,3)4/h6-13H,14H2,1-5H3,(H,22,24)