[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate

Systemtic Name: [2-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonylamino)phenyl]ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [2-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoethyl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [2-keto-2-[4-(tosylamino)phenyl]ethyl] ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6S/c1-14-3-10-18(11-4-14)28(25,26)21-17-8-6-16(7-9-17)19(23)13-27-20(24)12-5-15(2)22/h3-4,6-11,21H,5,12-13H2,1-2H3