2-(3-chloranylphenoxy)ethyl-methyl-[(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium

Systemtic Name: 2-(3-chloranylphenoxy)ethyl-methyl-[(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium Openeye Name: 2-(3-chlorophenoxy)ethyl-methyl-[(1S)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: 2-(3-chlorophenoxy)ethyl-methyl-[(2S)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]ammonium IUPAC Name: 2-(3-chlorophenoxy)ethyl-methyl-[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]azanium Traditional Name: 2-(3-chlorophenoxy)ethyl-[(1S)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C22H29ClN3O4S+ MolecularWeight: 467.00136

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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=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+](C)CCOC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O4S/c1-17(25(2)14-15-30-20-7-5-6-18(23)16-20)22(27)24-19-8-10-21(11-9-19)31(28,29)26-12-3-4-13-26/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,24,27)/p+1/t17-/m0/s1