2-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl]thio]propanoic acid IUPAC Name: 2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-keto-2-(4-piperidinosulfonylanilino)ethyl]thio]propionic acid Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C(=O)O)SCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C16H22N2O5S2/c1-12(16(20)21)24-11-15(19)17-13-5-7-14(8-6-13)25(22,23)18-9-3-2-4-10-18/h5-8,12H,2-4,9-11H2,1H3,(H,17,19)(H,20,21)