[(2S)-1-[(3-ethynylphenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(3-ethynylphenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(3-ethynylphenyl)carbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2S)-1-(3-ethynylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(3-ethynylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(3-ethynylphenyl)carbamoyl]-3-mesyl-propyl]ammonium Formula: C13H17N2O3S+ MolecularWeight: 281.35068

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC1=CC=CC(=C1)C#C)[NH3+]

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)NC1=CC=CC(=C1)C#C)[NH3+]

InChI

InChI=1S/C13H16N2O3S/c1-3-10-5-4-6-11(9-10)15-13(16)12(14)7-8-19(2,17)18/h1,4-6,9,12H,7-8,14H2,2H3,(H,15,16)/p+1/t12-/m0/s1