[(2R)-1-[(4-methoxyphenyl)methylamino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1R)-1-[(4-methoxyphenyl)methylcarbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1R)-3-mesyl-1-(p-anisylcarbamoyl)propyl]ammonium Formula: C13H21N2O4S+ MolecularWeight: 301.38184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C(CCS(=O)(=O)C)[NH3+]

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)[C@@H](CCS(=O)(=O)C)[NH3+]

InChI

InChI=1S/C13H20N2O4S/c1-19-11-5-3-10(4-6-11)9-15-13(16)12(14)7-8-20(2,17)18/h3-6,12H,7-9,14H2,1-2H3,(H,15,16)/p+1/t12-/m1/s1