[4-[2-[6-(4-butylpiperazin-1-yl)hexanoylamino]ethyl]phenyl] sulfamate

Systemtic Name: [4-[2-[6-(4-butylpiperazin-1-yl)hexanoylamino]ethyl]phenyl] sulfamate Openeye Name: [4-[2-[6-(4-butylpiperazin-1-yl)hexanoylamino]ethyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[2-[[6-(4-butyl-1-piperazinyl)-1-oxohexyl]amino]ethyl]phenyl] ester IUPAC Name: [4-[2-[6-(4-butylpiperazin-1-yl)hexanoylamino]ethyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[2-[6-(4-butylpiperazino)hexanoylamino]ethyl]phenyl] ester Formula: C22H38N4O4S MolecularWeight: 454.62652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)CCCCCC(=O)NCCC2=CC=C(C=C2)OS(=O)(=O)N

Isomeric SMILES

CCCCN1CCN(CC1)CCCCCC(=O)NCCC2=CC=C(C=C2)OS(=O)(=O)N

InChI

InChI=1S/C22H38N4O4S/c1-2-3-14-25-16-18-26(19-17-25)15-6-4-5-7-22(27)24-13-12-20-8-10-21(11-9-20)30-31(23,28)29/h8-11H,2-7,12-19H2,1H3,(H,24,27)(H2,23,28,29)