[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethylsulfonylbenzoate

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethylsulfonylbenzoate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2S(=O)(=O)CC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC=CC=C2S(=O)(=O)CC

InChI

InChI=1S/C20H23NO5S/c1-4-15-10-12-16(13-11-15)21-19(22)14(3)26-20(23)17-8-6-7-9-18(17)27(24,25)5-2/h6-14H,4-5H2,1-3H3,(H,21,22)/t14-/m0/s1