[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (2S)-2-(4-chloranylphenoxy)propanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (2S)-2-(4-chloranylphenoxy)propanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (2S)-2-(4-chlorophenoxy)propanoate CAS Name: (2S)-2-(4-chlorophenoxy)propanoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (2S)-2-(4-chlorophenoxy)propanoate Traditional Name: (2S)-2-(4-chlorophenoxy)propionic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C21H22ClNO6S MolecularWeight: 451.92048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO6S/c1-15(29-18-8-6-17(22)7-9-18)21(25)28-14-20(24)16-4-10-19(11-5-16)30(26,27)23-12-2-3-13-23/h4-11,15H,2-3,12-14H2,1H3/t15-/m0/s1