[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate

Systemtic Name: [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NC(C)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N[C@H](C)C2=CC(=CC=C2)Cl

InChI

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