(4-chlorophenyl) 4-[4-(dimethylaminomethyl)phenyl]sulfanylpiperidine-1-carboxylate

Systemtic Name: (4-chlorophenyl) 4-[4-(dimethylaminomethyl)phenyl]sulfanylpiperidine-1-carboxylate Openeye Name: (4-chlorophenyl) 4-[4-(dimethylaminomethyl)phenyl]sulfanylpiperidine-1-carboxylate CAS Name: 4-[[4-(dimethylaminomethyl)phenyl]thio]-1-piperidinecarboxylic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 4-[4-(dimethylaminomethyl)phenyl]sulfanylpiperidine-1-carboxylate Traditional Name: 4-[[4-(dimethylaminomethyl)phenyl]thio]piperidine-1-carboxylic acid (4-chlorophenyl) ester Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)SC2CCN(CC2)C(=O)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)SC2CCN(CC2)C(=O)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-23(2)15-16-3-9-19(10-4-16)27-20-11-13-24(14-12-20)21(25)26-18-7-5-17(22)6-8-18/h3-10,20H,11-15H2,1-2H3