N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C21H28N2O4S2/c1-17-4-2-5-18(14-17)16-29(25,26)23-10-7-19(8-11-23)21(24)22-9-13-28-15-20-6-3-12-27-20/h2-6,12,14,19H,7-11,13,15-16H2,1H3,(H,22,24)