tert-butyl 3-[[2-(2,4-dichlorophenyl)sulfanylphenyl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-(2,4-dichlorophenyl)sulfanylphenyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[2-(2,4-dichlorophenyl)sulfanylanilino]piperidine-1-carboxylate CAS Name: 3-[2-[(2,4-dichlorophenyl)thio]anilino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(2,4-dichlorophenyl)sulfanylanilino]piperidine-1-carboxylate Traditional Name: 3-[2-[(2,4-dichlorophenyl)thio]anilino]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H26Cl2N2O2S MolecularWeight: 453.42504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)NC2=CC=CC=C2SC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)NC2=CC=CC=C2SC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H26Cl2N2O2S/c1-22(2,3)28-21(27)26-12-6-7-16(14-26)25-18-8-4-5-9-20(18)29-19-11-10-15(23)13-17(19)24/h4-5,8-11,13,16,25H,6-7,12,14H2,1-3H3