1-[(2-chlorophenyl)methylsulfonyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methylsulfonyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methylsulfonyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methylsulfonyl]-N-[2-(ethylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methylsulfonyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)sulfonyl-N-[2-(ethylthio)phenyl]isonipecotamide Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3Cl

Isomeric SMILES

CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN2O3S2/c1-2-28-20-10-6-5-9-19(20)23-21(25)16-11-13-24(14-12-16)29(26,27)15-17-7-3-4-8-18(17)22/h3-10,16H,2,11-15H2,1H3,(H,23,25)