[2-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(N-(2-ethoxy-2-oxo-ethyl)anilino)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(N-(2-ethoxy-2-keto-ethyl)anilino)-2-keto-ethyl] ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=C1)C(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=C1)C(=O)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H25NO7S/c1-3-29-22(26)15-23(18-7-5-4-6-8-18)20(24)16-30-21(25)13-14-31(27,28)19-11-9-17(2)10-12-19/h4-12H,3,13-16H2,1-2H3