N-[2-(phenylmethylsulfanyl)ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-(phenylmethylthio)ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C19H24N2O3S3 MolecularWeight: 424.60046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C19H24N2O3S3/c22-19(20-10-13-25-15-16-6-2-1-3-7-16)17-8-4-11-21(14-17)27(23,24)18-9-5-12-26-18/h1-3,5-7,9,12,17H,4,8,10-11,13-15H2,(H,20,22)