(2S)-2-azanyl-3-(4-cyanophenyl)propane-1-sulfonic acid

Systemtic Name: (2S)-2-azanyl-3-(4-cyanophenyl)propane-1-sulfonic acid Openeye Name: (2S)-2-amino-3-(4-cyanophenyl)propane-1-sulfonic acid CAS Name: (2S)-2-amino-3-(4-cyanophenyl)-1-propanesulfonic acid IUPAC Name: (2S)-2-amino-3-(4-cyanophenyl)propane-1-sulfonic acid Traditional Name: (2S)-2-amino-3-(4-cyanophenyl)propane-1-sulfonic acid Formula: C10H12N2O3S MolecularWeight: 240.27888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CS(=O)(=O)O)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O3S/c11-6-9-3-1-8(2-4-9)5-10(12)7-16(13,14)15/h1-4,10H,5,7,12H2,(H,13,14,15)/t10-/m0/s1