[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC(C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)N[C@H](C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClNO5S/c1-12-4-9-16(27(3,24)25)10-17(12)19(23)26-11-18(22)21-13(2)14-5-7-15(20)8-6-14/h4-10,13H,11H2,1-3H3,(H,21,22)/t13-/m1/s1