[(2R)-1-[(3,4-dimethoxyphenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1R)-1-[(3,4-dimethoxyphenyl)carbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2R)-1-(3,4-dimethoxyanilino)-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2R)-1-(3,4-dimethoxyanilino)-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1R)-1-[(3,4-dimethoxyphenyl)carbamoyl]-3-mesyl-propyl]ammonium Formula: C13H21N2O5S+ MolecularWeight: 317.38124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(CCS(=O)(=O)C)[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@@H](CCS(=O)(=O)C)[NH3+])OC

InChI

InChI=1S/C13H20N2O5S/c1-19-11-5-4-9(8-12(11)20-2)15-13(16)10(14)6-7-21(3,17)18/h4-5,8,10H,6-7,14H2,1-3H3,(H,15,16)/p+1/t10-/m1/s1