(3-fluorophenyl)methyl-methyl-[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium

Systemtic Name: (3-fluorophenyl)methyl-methyl-[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium Openeye Name: (3-fluorophenyl)methyl-methyl-[(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: (3-fluorophenyl)methyl-methyl-[(2R)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]ammonium IUPAC Name: (3-fluorophenyl)methyl-methyl-[(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]azanium Traditional Name: (3-fluorobenzyl)-[(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+](C)CC3=CC(=CC=C3)F

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+](C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H26FN3O3S/c1-16(24(2)15-17-6-5-7-18(22)14-17)21(26)23-19-8-10-20(11-9-19)29(27,28)25-12-3-4-13-25/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H,23,26)/p+1/t16-/m1/s1