[1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C)C(=O)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C)C(=O)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C21H23NO6S/c1-14-7-9-19(10-8-14)29(26,27)12-11-20(24)28-16(3)21(25)22-18-6-4-5-17(13-18)15(2)23/h4-10,13,16H,11-12H2,1-3H3,(H,22,25)