3-iodanyl-1-[2-(methylsulfanylsulfonylamino)-5-propyl-phenyl]piperazine

Systemtic Name: 3-iodanyl-1-[2-(methylsulfanylsulfonylamino)-5-propyl-phenyl]piperazine Openeye Name: 3-iodo-1-[2-(methylsulfanylsulfonylamino)-5-propyl-phenyl]piperazine CAS Name: 3-iodo-1-[2-[(methylthio)sulfonylamino]-5-propylphenyl]piperazine IUPAC Name: 3-iodo-1-[2-(methylsulfanylsulfonylamino)-5-propylphenyl]piperazine Traditional Name: 3-iodo-1-[2-[(methylthio)sulfonylamino]-5-propyl-phenyl]piperazine Formula: C14H22IN3O2S2 MolecularWeight: 455.37785

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)I

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)I

InChI

InChI=1S/C14H22IN3O2S2/c1-3-4-11-5-6-12(17-22(19,20)21-2)13(9-11)18-8-7-16-14(15)10-18/h5-6,9,14,16-17H,3-4,7-8,10H2,1-2H3