N-bromanyl-2-(3-fluoranylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethanamine

Systemtic Name: N-bromanyl-2-(3-fluoranylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethanamine Openeye Name: N-bromo-2-(3-fluoropiperazin-1-yl)-2-(4-isopropylsulfonylphenyl)ethanamine CAS Name: N-bromo-2-(3-fluoro-1-piperazinyl)-2-(4-propan-2-ylsulfonylphenyl)ethanamine IUPAC Name: N-bromo-2-(3-fluoropiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethanamine Traditional Name: bromo-[2-(3-fluoropiperazino)-2-(4-isopropylsulfonylphenyl)ethyl]amine Formula: C15H23BrFN3O2S MolecularWeight: 408.329423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNBr)N2CCNC(C2)F

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNBr)N2CCNC(C2)F

InChI

InChI=1S/C15H23BrFN3O2S/c1-11(2)23(21,22)13-5-3-12(4-6-13)14(9-19-16)20-8-7-18-15(17)10-20/h3-6,11,14-15,18-19H,7-10H2,1-2H3