[(2R)-1-[(4-ethylphenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2R)-1-[(4-ethylphenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1R)-1-[(4-ethylphenyl)carbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2R)-1-(4-ethylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2R)-1-(4-ethylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1R)-1-[(4-ethylphenyl)carbamoyl]-3-mesyl-propyl]ammonium Formula: C13H21N2O3S+ MolecularWeight: 285.38244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CCS(=O)(=O)C)[NH3+]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@@H](CCS(=O)(=O)C)[NH3+]

InChI

InChI=1S/C13H20N2O3S/c1-3-10-4-6-11(7-5-10)15-13(16)12(14)8-9-19(2,17)18/h4-7,12H,3,8-9,14H2,1-2H3,(H,15,16)/p+1/t12-/m1/s1