ethyl N-[2-(3-iodanylpiperazin-1-yl)-4-(2-methylpropyl)phenyl]sulfamate

Systemtic Name: ethyl N-[2-(3-iodanylpiperazin-1-yl)-4-(2-methylpropyl)phenyl]sulfamate Openeye Name: ethyl N-[2-(3-iodopiperazin-1-yl)-4-isobutyl-phenyl]sulfamate CAS Name: N-[2-(3-iodo-1-piperazinyl)-4-(2-methylpropyl)phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[2-(3-iodopiperazin-1-yl)-4-(2-methylpropyl)phenyl]sulfamate Traditional Name: N-[2-(3-iodopiperazino)-4-isobutyl-phenyl]sulfamic acid ethyl ester Formula: C16H26IN3O3S MolecularWeight: 467.36541

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)CC(C)C)N2CCNC(C2)I

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)CC(C)C)N2CCNC(C2)I

InChI

InChI=1S/C16H26IN3O3S/c1-4-23-24(21,22)19-14-6-5-13(9-12(2)3)10-15(14)20-8-7-18-16(17)11-20/h5-6,10,12,16,18-19H,4,7-9,11H2,1-3H3