(2S)-3-(2-cyanophenyl)azanidylsulfonyl-2-methyl-propanoate

Systemtic Name: (2S)-3-(2-cyanophenyl)azanidylsulfonyl-2-methyl-propanoate Openeye Name: (2S)-3-(2-cyanophenyl)azanidylsulfonyl-2-methyl-propanoate CAS Name: (2S)-3-(2-cyanophenyl)azanidylsulfonyl-2-methylpropanoate IUPAC Name: (2S)-3-(2-cyanophenyl)azanidylsulfonyl-2-methylpropanoate Traditional Name: (2S)-3-(2-cyanophenyl)azanidylsulfonyl-2-methyl-propionate Formula: C11H10N2O4S-2 MolecularWeight: 266.2731

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)[N-]C1=CC=CC=C1C#N)C(=O)[O-]

Isomeric SMILES

C[C@H](CS(=O)(=O)[N-]C1=CC=CC=C1C#N)C(=O)[O-]

InChI

InChI=1S/C11H12N2O4S/c1-8(11(14)15)7-18(16,17)13-10-5-3-2-4-9(10)6-12/h2-5,8,12H,7H2,1H3,(H,14,15)/p-2/t8-/m1/s1