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

Systemtic Name: (2S)-2-azanyl-3-(3,4-dichlorophenyl)propane-1-sulfonic acid Openeye Name: (2S)-2-amino-3-(3,4-dichlorophenyl)propane-1-sulfonic acid CAS Name: (2S)-2-amino-3-(3,4-dichlorophenyl)-1-propanesulfonic acid IUPAC Name: (2S)-2-amino-3-(3,4-dichlorophenyl)propane-1-sulfonic acid Traditional Name: (2S)-2-amino-3-(3,4-dichlorophenyl)propane-1-sulfonic acid Formula: C9H11Cl2NO3S MolecularWeight: 284.15954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11Cl2NO3S/c10-8-2-1-6(4-9(8)11)3-7(12)5-16(13,14)15/h1-2,4,7H,3,5,12H2,(H,13,14,15)/t7-/m0/s1