N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-1-mesyl-isonipecotamide Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C17H23N3O3S2/c1-25(22,23)20-9-6-14(7-10-20)17(21)19-8-11-24-13-16-5-3-2-4-15(16)12-18/h2-5,14H,6-11,13H2,1H3,(H,19,21)