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

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-(4-methylphenoxy)propanoate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-(4-methylphenoxy)propanoate CAS Name: 3-(4-methylphenoxy)propanoic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-(4-methylphenoxy)propanoate Traditional Name: 3-(4-methylphenoxy)propionic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H26N2O6S/c1-17-7-9-19(10-8-17)29-14-11-22(26)30-16-21(25)23-18-5-4-6-20(15-18)31(27,28)24-12-2-3-13-24/h4-10,15H,2-3,11-14,16H2,1H3,(H,23,25)