[2-(3-iodanylpiperazin-1-yl)-4-(2-methylpropyl)phenyl]sulfamic acid

Systemtic Name: [2-(3-iodanylpiperazin-1-yl)-4-(2-methylpropyl)phenyl]sulfamic acid Openeye Name: [2-(3-iodopiperazin-1-yl)-4-isobutyl-phenyl]sulfamic acid CAS Name: [2-(3-iodo-1-piperazinyl)-4-(2-methylpropyl)phenyl]sulfamic acid IUPAC Name: [2-(3-iodopiperazin-1-yl)-4-(2-methylpropyl)phenyl]sulfamic acid Traditional Name: [2-(3-iodopiperazino)-4-isobutyl-phenyl]sulfamic acid Formula: C14H22IN3O3S MolecularWeight: 439.31225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22IN3O3S/c1-10(2)7-11-3-4-12(17-22(19,20)21)13(8-11)18-6-5-16-14(15)9-18/h3-4,8,10,14,16-17H,5-7,9H2,1-2H3,(H,19,20,21)