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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CO3

InChI

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