3-[1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl]sulfanylpropanoic acid Openeye Name: 3-[1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl]sulfanylpropanoic acid CAS Name: 3-[[1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl]thio]propanoic acid IUPAC Name: 3-[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-1-methyl-2-(4-piperidinoanilino)ethyl]thio]propionic acid Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SCCC(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SCCC(=O)O

InChI

InChI=1S/C17H24N2O3S/c1-13(23-12-9-16(20)21)17(22)18-14-5-7-15(8-6-14)19-10-3-2-4-11-19/h5-8,13H,2-4,9-12H2,1H3,(H,18,22)(H,20,21)