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

Systemtic Name: [(2S)-1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]ethyl]-dimethyl-ammonium Formula: C22H30FN4O3S+ MolecularWeight: 449.562003

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C22H29FN4O3S/c1-25(2)20(15-18-7-4-3-5-8-18)17-24-22(28)26-11-13-27(14-12-26)31(29,30)21-10-6-9-19(23)16-21/h3-10,16,20H,11-15,17H2,1-2H3,(H,24,28)/p+1/t20-/m0/s1