N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(3-chlorophenyl)methylthio]ethyl]-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[2-[(3-chlorobenzyl)thio]ethyl]-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C24H31ClN2O3S2 MolecularWeight: 495.09754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC(=CC=C2)Cl)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC(=CC=C2)Cl)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H31ClN2O3S2/c25-23-10-4-8-21(18-23)19-31-16-13-26-24(28)22-11-14-27(15-12-22)32(29,30)17-5-9-20-6-2-1-3-7-20/h1-4,6-8,10,18,22H,5,9,11-17,19H2,(H,26,28)