(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-methyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C20H24ClFN3O3S+ MolecularWeight: 440.939263

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC=C1Cl)F)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[NH+](CC1=C(C=CC=C1Cl)F)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H23ClFN3O3S/c1-24(13-17-18(21)5-4-6-19(17)22)14-20(26)23-15-7-9-16(10-8-15)29(27,28)25-11-2-3-12-25/h4-10H,2-3,11-14H2,1H3,(H,23,26)/p+1