(2S)-2-[(4-cyanophenyl)methylsulfonylamino]propanoate

Systemtic Name: (2S)-2-[(4-cyanophenyl)methylsulfonylamino]propanoate Openeye Name: (2S)-2-[(4-cyanophenyl)methylsulfonylamino]propanoate CAS Name: (2S)-2-[(4-cyanophenyl)methylsulfonylamino]propanoate IUPAC Name: (2S)-2-[(4-cyanophenyl)methylsulfonylamino]propanoate Traditional Name: (2S)-2-[(4-cyanobenzyl)sulfonylamino]propionate Formula: C11H11N2O4S- MolecularWeight: 267.28104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NS(=O)(=O)CC1=CC=C(C=C1)C#N

Isomeric SMILES

C[C@@H](C(=O)[O-])NS(=O)(=O)CC1=CC=C(C=C1)C#N

InChI

InChI=1S/C11H12N2O4S/c1-8(11(14)15)13-18(16,17)7-10-4-2-9(6-12)3-5-10/h2-5,8,13H,7H2,1H3,(H,14,15)/p-1/t8-/m0/s1