[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] (2R)-2-(4-chloranylphenoxy)propanoate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] (2R)-2-(4-chloranylphenoxy)propanoate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] (2R)-2-(4-chlorophenoxy)propanoate CAS Name: (2R)-2-(4-chlorophenoxy)propanoic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] (2R)-2-(4-chlorophenoxy)propanoate Traditional Name: (2R)-2-(4-chlorophenoxy)propionic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O6S/c1-15(30-18-9-7-16(22)8-10-18)21(26)29-14-20(25)23-17-5-4-6-19(13-17)31(27,28)24-11-2-3-12-24/h4-10,13,15H,2-3,11-12,14H2,1H3,(H,23,25)/t15-/m1/s1