(2-fluorophenyl)methyl-methyl-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium

Systemtic Name: (2-fluorophenyl)methyl-methyl-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: (2-fluorophenyl)methyl-methyl-[2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]ammonium CAS Name: (2-fluorophenyl)methyl-methyl-[2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: (2-fluorophenyl)methyl-methyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: (2-fluorobenzyl)-[2-keto-2-(3-piperidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1F)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1F)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26FN3O3S/c1-24(15-17-8-3-4-11-20(17)22)16-21(26)23-18-9-7-10-19(14-18)29(27,28)25-12-5-2-6-13-25/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H,23,26)/p+1