methyl N-[2-(3-fluoranylpiperazin-1-yl)-4-(2-methylpropyl)phenyl]sulfamate

Systemtic Name: methyl N-[2-(3-fluoranylpiperazin-1-yl)-4-(2-methylpropyl)phenyl]sulfamate Openeye Name: methyl N-[2-(3-fluoropiperazin-1-yl)-4-isobutyl-phenyl]sulfamate CAS Name: N-[2-(3-fluoro-1-piperazinyl)-4-(2-methylpropyl)phenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[2-(3-fluoropiperazin-1-yl)-4-(2-methylpropyl)phenyl]sulfamate Traditional Name: N-[2-(3-fluoropiperazino)-4-isobutyl-phenyl]sulfamic acid methyl ester Formula: C15H24FN3O3S MolecularWeight: 345.432763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)F

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)F

InChI

InChI=1S/C15H24FN3O3S/c1-11(2)8-12-4-5-13(18-23(20,21)22-3)14(9-12)19-7-6-17-15(16)10-19/h4-5,9,11,15,17-18H,6-8,10H2,1-3H3