tert-butyl (3S)-3-(3,4-dichlorophenyl)-3-(methylsulfinylmethyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(3,4-dichlorophenyl)-3-(methylsulfinylmethyl)piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-(3,4-dichlorophenyl)-3-(methylsulfinylmethyl)piperidine-1-carboxylate CAS Name: (3S)-3-(3,4-dichlorophenyl)-3-(methylsulfinylmethyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(3,4-dichlorophenyl)-3-(methylsulfinylmethyl)piperidine-1-carboxylate Traditional Name: (3S)-3-(3,4-dichlorophenyl)-3-(methylsulfinylmethyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C18H25Cl2NO3S MolecularWeight: 406.367

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)(CS(=O)C)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@](C1)(CS(=O)C)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H25Cl2NO3S/c1-17(2,3)24-16(22)21-9-5-8-18(11-21,12-25(4)23)13-6-7-14(19)15(20)10-13/h6-7,10H,5,8-9,11-12H2,1-4H3/t18-,25?/m0/s1