2-(2-fluoranylphenoxy)ethyl-methyl-[(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium

Systemtic Name: 2-(2-fluoranylphenoxy)ethyl-methyl-[(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium Openeye Name: 2-(2-fluorophenoxy)ethyl-methyl-[(1S)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: 2-(2-fluorophenoxy)ethyl-methyl-[(2S)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]ammonium IUPAC Name: 2-(2-fluorophenoxy)ethyl-methyl-[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]azanium Traditional Name: 2-(2-fluorophenoxy)ethyl-[(1S)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C22H29FN3O4S+ MolecularWeight: 450.546763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+](C)CCOC3=CC=CC=C3F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+](C)CCOC3=CC=CC=C3F

InChI

InChI=1S/C22H28FN3O4S/c1-17(25(2)15-16-30-21-8-4-3-7-20(21)23)22(27)24-18-9-11-19(12-10-18)31(28,29)26-13-5-6-14-26/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,24,27)/p+1/t17-/m0/s1