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

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-cyclopropyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-cyclopropyl-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-cyclopropyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-cyclopropyl-[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]ammonium Formula: C22H26ClFN3O3S+ MolecularWeight: 466.976543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+](CC3=C(C=CC=C3Cl)F)C4CC4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+](CC3=C(C=CC=C3Cl)F)C4CC4

InChI

InChI=1S/C22H25ClFN3O3S/c23-20-4-3-5-21(24)19(20)14-26(17-8-9-17)15-22(28)25-16-6-10-18(11-7-16)31(29,30)27-12-1-2-13-27/h3-7,10-11,17H,1-2,8-9,12-15H2,(H,25,28)/p+1