N-[(2-chlorophenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-chlorobenzyl)-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C20H23ClN2O3S2 MolecularWeight: 438.99122

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H23ClN2O3S2/c1-27-17-6-8-18(9-7-17)28(25,26)23-12-10-15(11-13-23)20(24)22-14-16-4-2-3-5-19(16)21/h2-9,15H,10-14H2,1H3,(H,22,24)