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

Systemtic Name: methyl N-[2-(3-fluoranylpiperazin-1-yl)-4-phenyl-phenyl]sulfamate Openeye Name: methyl N-[2-(3-fluoropiperazin-1-yl)-4-phenyl-phenyl]sulfamate CAS Name: N-[2-(3-fluoro-1-piperazinyl)-4-phenylphenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[2-(3-fluoropiperazin-1-yl)-4-phenylphenyl]sulfamate Traditional Name: N-[2-(3-fluoropiperazino)-4-phenyl-phenyl]sulfamic acid methyl ester Formula: C17H20FN3O3S MolecularWeight: 365.422403

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2)N3CCNC(C3)F

Isomeric SMILES

COS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2)N3CCNC(C3)F

InChI

InChI=1S/C17H20FN3O3S/c1-24-25(22,23)20-15-8-7-14(13-5-3-2-4-6-13)11-16(15)21-10-9-19-17(18)12-21/h2-8,11,17,19-20H,9-10,12H2,1H3