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

Systemtic Name: phenyl N-[2-(3-fluoranylpiperazin-1-yl)-2-(4-propylphenyl)ethyl]sulfamate Openeye Name: phenyl N-[2-(3-fluoropiperazin-1-yl)-2-(4-propylphenyl)ethyl]sulfamate CAS Name: N-[2-(3-fluoro-1-piperazinyl)-2-(4-propylphenyl)ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-fluoropiperazin-1-yl)-2-(4-propylphenyl)ethyl]sulfamate Traditional Name: N-[2-(3-fluoropiperazino)-2-(4-propylphenyl)ethyl]sulfamic acid phenyl ester Formula: C21H28FN3O3S MolecularWeight: 421.528723

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)F

Isomeric SMILES

CCCC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)F

InChI

InChI=1S/C21H28FN3O3S/c1-2-6-17-9-11-18(12-10-17)20(25-14-13-23-21(22)16-25)15-24-29(26,27)28-19-7-4-3-5-8-19/h3-5,7-12,20-21,23-24H,2,6,13-16H2,1H3