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

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)CCCNC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)CCCNC(=O)C

InChI

InChI=1S/C23H27NO6S/c1-17-5-11-21(12-6-17)31(28,29)15-13-23(27)30-16-22(26)20-9-7-19(8-10-20)4-3-14-24-18(2)25/h5-12H,3-4,13-16H2,1-2H3,(H,24,25)