2-[3,5-bis(fluoranyl)phenyl]sulfonyl-5-(2-iodanylpiperazin-1-yl)-N-methyl-aniline

Systemtic Name: 2-[3,5-bis(fluoranyl)phenyl]sulfonyl-5-(2-iodanylpiperazin-1-yl)-N-methyl-aniline Openeye Name: 2-(3,5-difluorophenyl)sulfonyl-5-(2-iodopiperazin-1-yl)-N-methyl-aniline CAS Name: 2-(3,5-difluorophenyl)sulfonyl-5-(2-iodo-1-piperazinyl)-N-methylaniline IUPAC Name: 2-(3,5-difluorophenyl)sulfonyl-5-(2-iodopiperazin-1-yl)-N-methylaniline Traditional Name: [2-(3,5-difluorophenyl)sulfonyl-5-(2-iodopiperazino)phenyl]-methyl-amine Formula: C17H18F2IN3O2S MolecularWeight: 493.309996

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)N2CCNCC2I)S(=O)(=O)C3=CC(=CC(=C3)F)F

Isomeric SMILES

CNC1=C(C=CC(=C1)N2CCNCC2I)S(=O)(=O)C3=CC(=CC(=C3)F)F

InChI

InChI=1S/C17H18F2IN3O2S/c1-21-15-9-13(23-5-4-22-10-17(23)20)2-3-16(15)26(24,25)14-7-11(18)6-12(19)8-14/h2-3,6-9,17,21-22H,4-5,10H2,1H3