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

Systemtic Name: 3-iodanyl-1-[2-(methylsulfanylsulfonylamino)-5-(phenylmethyl)phenyl]piperazine Openeye Name: 1-[5-benzyl-2-(methylsulfanylsulfonylamino)phenyl]-3-iodo-piperazine CAS Name: 3-iodo-1-[2-[(methylthio)sulfonylamino]-5-(phenylmethyl)phenyl]piperazine IUPAC Name: 1-[5-benzyl-2-(methylsulfanylsulfonylamino)phenyl]-3-iodopiperazine Traditional Name: 1-[5-benzyl-2-[(methylthio)sulfonylamino]phenyl]-3-iodo-piperazine Formula: C18H22IN3O2S2 MolecularWeight: 503.42065

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Descriptors Computed from Structure

Canonical SMILES:

CSS(=O)(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)I

Isomeric SMILES

CSS(=O)(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)I

InChI

InChI=1S/C18H22IN3O2S2/c1-25-26(23,24)21-16-8-7-15(11-14-5-3-2-4-6-14)12-17(16)22-10-9-20-18(19)13-22/h2-8,12,18,20-21H,9-11,13H2,1H3