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

Systemtic Name: (2S)-2-azanyl-3-(4-chlorophenyl)propane-1-sulfonic acid Openeye Name: (2S)-2-amino-3-(4-chlorophenyl)propane-1-sulfonic acid CAS Name: (2S)-2-amino-3-(4-chlorophenyl)-1-propanesulfonic acid IUPAC Name: (2S)-2-amino-3-(4-chlorophenyl)propane-1-sulfonic acid Traditional Name: (2S)-2-amino-3-(4-chlorophenyl)propane-1-sulfonic acid Formula: C9H12ClNO3S MolecularWeight: 249.71448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CS(=O)(=O)O)N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C9H12ClNO3S/c10-8-3-1-7(2-4-8)5-9(11)6-15(12,13)14/h1-4,9H,5-6,11H2,(H,12,13,14)/t9-/m0/s1