1-[1,3-bis[(4-methylphenyl)sulfonylsulfanyl]propan-2-yl]piperidine

Systemtic Name: 1-[1,3-bis[(4-methylphenyl)sulfonylsulfanyl]propan-2-yl]piperidine Openeye Name: 1-[2-(p-tolylsulfonylsulfanyl)-1-(p-tolylsulfonylsulfanylmethyl)ethyl]piperidine CAS Name: 1-[1,3-bis[(4-methylphenyl)sulfonylthio]propan-2-yl]piperidine IUPAC Name: 1-[1,3-bis[(4-methylphenyl)sulfonylsulfanyl]propan-2-yl]piperidine Traditional Name: 1-[2-(tosylthio)-1-[(tosylthio)methyl]ethyl]piperidine Formula: C22H29NO4S4 MolecularWeight: 499.72996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SCC(CSS(=O)(=O)C2=CC=C(C=C2)C)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SCC(CSS(=O)(=O)C2=CC=C(C=C2)C)N3CCCCC3

InChI

InChI=1S/C22H29NO4S4/c1-18-6-10-21(11-7-18)30(24,25)28-16-20(23-14-4-3-5-15-23)17-29-31(26,27)22-12-8-19(2)9-13-22/h6-13,20H,3-5,14-17H2,1-2H3