methyl N-[2-(3-bromanylpiperazin-1-yl)-4-propyl-phenyl]sulfamate

Systemtic Name: methyl N-[2-(3-bromanylpiperazin-1-yl)-4-propyl-phenyl]sulfamate Openeye Name: methyl N-[2-(3-bromopiperazin-1-yl)-4-propyl-phenyl]sulfamate CAS Name: N-[2-(3-bromo-1-piperazinyl)-4-propylphenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[2-(3-bromopiperazin-1-yl)-4-propylphenyl]sulfamate Traditional Name: N-[2-(3-bromopiperazino)-4-propyl-phenyl]sulfamic acid methyl ester Formula: C14H22BrN3O3S MolecularWeight: 392.31178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)Br

InChI

InChI=1S/C14H22BrN3O3S/c1-3-4-11-5-6-12(17-22(19,20)21-2)13(9-11)18-8-7-16-14(15)10-18/h5-6,9,14,16-17H,3-4,7-8,10H2,1-2H3