N-[4-methyl-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]sulfamoyl iodide

Systemtic Name: N-[4-methyl-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]sulfamoyl iodide Openeye Name: N-[2-(3-benzylpiperazin-1-yl)-4-methyl-phenyl]sulfamoyl iodide CAS Name: N-[4-methyl-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]sulfamoyl iodide IUPAC Name: N-[2-(3-benzylpiperazin-1-yl)-4-methylphenyl]sulfamoyl iodide Traditional Name: N-[2-(3-benzylpiperazino)-4-methyl-phenyl]sulfamoyl iodide Formula: C18H22IN3O2S MolecularWeight: 471.35565

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)I)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)I)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22IN3O2S/c1-14-7-8-17(21-25(19,23)24)18(11-14)22-10-9-20-16(13-22)12-15-5-3-2-4-6-15/h2-8,11,16,20-21H,9-10,12-13H2,1H3