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

Systemtic Name: 1-[5-(2-hydroxyphenyl)-2-(methylsulfanylsulfonylamino)phenyl]-3-iodanyl-piperazine Openeye Name: 1-[5-(2-hydroxyphenyl)-2-(methylsulfanylsulfonylamino)phenyl]-3-iodo-piperazine CAS Name: 1-[5-(2-hydroxyphenyl)-2-[(methylthio)sulfonylamino]phenyl]-3-iodopiperazine IUPAC Name: 1-[5-(2-hydroxyphenyl)-2-(methylsulfanylsulfonylamino)phenyl]-3-iodopiperazine Traditional Name: 1-[5-(2-hydroxyphenyl)-2-[(methylthio)sulfonylamino]phenyl]-3-iodo-piperazine Formula: C17H20IN3O3S2 MolecularWeight: 505.39347

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Descriptors Computed from Structure

Canonical SMILES:

CSS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)I

Isomeric SMILES

CSS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)I

InChI

InChI=1S/C17H20IN3O3S2/c1-25-26(23,24)20-14-7-6-12(13-4-2-3-5-16(13)22)10-15(14)21-9-8-19-17(18)11-21/h2-7,10,17,19-20,22H,8-9,11H2,1H3