[1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 3-phenylsulfanylpropanoate

Systemtic Name: [1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 3-phenylsulfanylpropanoate Openeye Name: [1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S2/c1-17(29-21(25)13-16-30-19-7-3-2-4-8-19)22(26)23-18-9-11-20(12-10-18)31(27,28)24-14-5-6-15-24/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,23,26)