ethyl 3-[[tert-butyl-(4-methylphenyl)sulfonyl-amino]methyl]benzoate

Systemtic Name: ethyl 3-[[tert-butyl-(4-methylphenyl)sulfonyl-amino]methyl]benzoate Openeye Name: ethyl 3-[[tert-butyl(p-tolylsulfonyl)amino]methyl]benzoate CAS Name: 3-[[tert-butyl-(4-methylphenyl)sulfonylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[tert-butyl-(4-methylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 3-[[tert-butyl(tosyl)amino]methyl]benzoic acid ethyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CN(C(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CN(C(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H27NO4S/c1-6-26-20(23)18-9-7-8-17(14-18)15-22(21(3,4)5)27(24,25)19-12-10-16(2)11-13-19/h7-14H,6,15H2,1-5H3