[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 4-[methyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[methyl(tosyl)amino]benzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H24N2O5S/c1-5-21-19(23)15(3)27-20(24)16-8-10-17(11-9-16)22(4)28(25,26)18-12-6-14(2)7-13-18/h6-13,15H,5H2,1-4H3,(H,21,23)/t15-/m0/s1