sodium (4S)-4-azanyl-5-sulfanyl-pentane-1-sulfonate

Systemtic Name: sodium (4S)-4-azanyl-5-sulfanyl-pentane-1-sulfonate Openeye Name: sodium (4S)-4-amino-5-sulfanyl-pentane-1-sulfonate CAS Name: sodium (4S)-4-amino-5-mercapto-1-pentanesulfonate IUPAC Name: sodium (4S)-4-amino-5-sulfanylpentane-1-sulfonate Traditional Name: sodium (4S)-4-amino-5-mercapto-pentane-1-sulfonate Formula: C5H12NNaO3S2 MolecularWeight: 221.27345

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(CS)N)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C(C[C@@H](CS)N)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C5H13NO3S2.Na/c6-5(4-10)2-1-3-11(7,8)9;/h5,10H,1-4,6H2,(H,7,8,9);/q;+1/p-1/t5-;/m0./s1