[(2S)-1-[2-cyanoethyl(phenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-cyanoethyl(phenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[2-cyanoethyl(phenyl)carbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2S)-1-[N-(2-cyanoethyl)anilino]-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[N-(2-cyanoethyl)anilino]-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[2-cyanoethyl(phenyl)carbamoyl]-3-mesyl-propyl]ammonium Formula: C14H20N3O3S+ MolecularWeight: 310.3919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S/c1-21(19,20)11-8-13(16)14(18)17(10-5-9-15)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8,10-11,16H2,1H3/p+1/t13-/m0/s1