phenyl N-[2-(3-fluoranylpiperazin-1-yl)-2-(4-methylphenyl)ethyl]sulfamate

Systemtic Name: phenyl N-[2-(3-fluoranylpiperazin-1-yl)-2-(4-methylphenyl)ethyl]sulfamate Openeye Name: phenyl N-[2-(3-fluoropiperazin-1-yl)-2-(p-tolyl)ethyl]sulfamate CAS Name: N-[2-(3-fluoro-1-piperazinyl)-2-(4-methylphenyl)ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-fluoropiperazin-1-yl)-2-(4-methylphenyl)ethyl]sulfamate Traditional Name: N-[2-(3-fluoropiperazino)-2-(p-tolyl)ethyl]sulfamic acid phenyl ester Formula: C19H24FN3O3S MolecularWeight: 393.475563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)F

Isomeric SMILES

CC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)F

InChI

InChI=1S/C19H24FN3O3S/c1-15-7-9-16(10-8-15)18(23-12-11-21-19(20)14-23)13-22-27(24,25)26-17-5-3-2-4-6-17/h2-10,18-19,21-22H,11-14H2,1H3