[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClNO5S/c1-13-3-9-17(10-4-13)27(24,25)21-12-11-18(22)26-14(2)19(23)15-5-7-16(20)8-6-15/h3-10,14,21H,11-12H2,1-2H3