[(1S)-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C19H26FN4O3S2+ MolecularWeight: 441.563143

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F)C3=CSC=C3

InChI

InChI=1S/C19H25FN4O3S2/c1-22(2)17(15-7-12-28-14-15)13-21-19(25)23-8-10-24(11-9-23)29(26,27)18-6-4-3-5-16(18)20/h3-7,12,14,17H,8-11,13H2,1-2H3,(H,21,25)/p+1/t17-/m1/s1