3-[[2-(2,4-dichlorophenyl)sulfanylphenyl]amino]piperidine-1-carboxylic acid

Systemtic Name: 3-[[2-(2,4-dichlorophenyl)sulfanylphenyl]amino]piperidine-1-carboxylic acid Openeye Name: 3-[2-(2,4-dichlorophenyl)sulfanylanilino]piperidine-1-carboxylic acid CAS Name: 3-[2-[(2,4-dichlorophenyl)thio]anilino]-1-piperidinecarboxylic acid IUPAC Name: 3-[2-(2,4-dichlorophenyl)sulfanylanilino]piperidine-1-carboxylic acid Traditional Name: 3-[2-[(2,4-dichlorophenyl)thio]anilino]piperidine-1-carboxylic acid Formula: C18H18Cl2N2O2S MolecularWeight: 397.31872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)O)NC2=CC=CC=C2SC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CC(CN(C1)C(=O)O)NC2=CC=CC=C2SC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H18Cl2N2O2S/c19-12-7-8-16(14(20)10-12)25-17-6-2-1-5-15(17)21-13-4-3-9-22(11-13)18(23)24/h1-2,5-8,10,13,21H,3-4,9,11H2,(H,23,24)