[azanyl-[2-[3-methyl-5-(phenylsulfonyloxy)phenoxy]ethylsulfanyl]methylidene]azanium iodide

Systemtic Name: [azanyl-[2-[3-methyl-5-(phenylsulfonyloxy)phenoxy]ethylsulfanyl]methylidene]azanium iodide Openeye Name: [amino-[2-[3-(benzenesulfonyloxy)-5-methyl-phenoxy]ethylsulfanyl]methylene]ammonium iodide CAS Name: [amino-[2-[3-(benzenesulfonyloxy)-5-methylphenoxy]ethylthio]methylidene]ammonium iodide IUPAC Name: [amino-[2-[3-(benzenesulfonyloxy)-5-methylphenoxy]ethylsulfanyl]methylidene]azanium iodide Traditional Name: [amino-[2-(3-besyloxy-5-methyl-phenoxy)ethylthio]methylene]ammonium iodide Formula: C16H19IN2O4S2 MolecularWeight: 494.36753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)OCCSC(=[NH2+])N.[I-]

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)OCCSC(=[NH2+])N.[I-]

InChI

InChI=1S/C16H18N2O4S2.HI/c1-12-9-13(21-7-8-23-16(17)18)11-14(10-12)22-24(19,20)15-5-3-2-4-6-15;/h2-6,9-11H,7-8H2,1H3,(H3,17,18);1H