N-[4-ethyl-2-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]sulfamoyl iodide

Systemtic Name: N-[4-ethyl-2-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]sulfamoyl iodide Openeye Name: N-[2-[3-(benzenesulfonyl)piperazin-1-yl]-4-ethyl-phenyl]sulfamoyl iodide CAS Name: N-[2-[3-(benzenesulfonyl)-1-piperazinyl]-4-ethylphenyl]sulfamoyl iodide IUPAC Name: N-[2-[3-(benzenesulfonyl)piperazin-1-yl]-4-ethylphenyl]sulfamoyl iodide Traditional Name: N-[2-(3-besylpiperazino)-4-ethyl-phenyl]sulfamoyl iodide Formula: C18H22IN3O4S2 MolecularWeight: 535.41945

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)I)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)I)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H22IN3O4S2/c1-2-14-8-9-16(21-28(19,25)26)17(12-14)22-11-10-20-18(13-22)27(23,24)15-6-4-3-5-7-15/h3-9,12,18,20-21H,2,10-11,13H2,1H3