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

Systemtic Name: N-[4-(2-methylpropyl)-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]sulfamoyl iodide Openeye Name: N-[2-(3-benzylpiperazin-1-yl)-4-isobutyl-phenyl]sulfamoyl iodide CAS Name: N-[4-(2-methylpropyl)-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]sulfamoyl iodide IUPAC Name: N-[2-(3-benzylpiperazin-1-yl)-4-(2-methylpropyl)phenyl]sulfamoyl iodide Traditional Name: N-[2-(3-benzylpiperazino)-4-isobutyl-phenyl]sulfamoyl iodide Formula: C21H28IN3O2S MolecularWeight: 513.43539

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28IN3O2S/c1-16(2)12-18-8-9-20(24-28(22,26)27)21(14-18)25-11-10-23-19(15-25)13-17-6-4-3-5-7-17/h3-9,14,16,19,23-24H,10-13,15H2,1-2H3