N-(2-cyclopentylsulfanylphenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(cyclopentylthio)phenyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-1-tosyl-isonipecotamide Formula: C24H30N2O3S2 MolecularWeight: 458.6366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SC4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SC4CCCC4

InChI

InChI=1S/C24H30N2O3S2/c1-18-10-12-21(13-11-18)31(28,29)26-16-14-19(15-17-26)24(27)25-22-8-4-5-9-23(22)30-20-6-2-3-7-20/h4-5,8-13,19-20H,2-3,6-7,14-17H2,1H3,(H,25,27)