(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl-methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: (3-fluoro-4-methoxy-benzyl)-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C21H27FN3O4S+ MolecularWeight: 436.520183

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H26FN3O4S/c1-24(14-16-8-9-20(29-2)19(22)12-16)15-21(26)23-17-6-5-7-18(13-17)30(27,28)25-10-3-4-11-25/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3,(H,23,26)/p+1