4-(2-azanyl-3-sulfanyl-propyl)benzenesulfonic acid

Systemtic Name: 4-(2-azanyl-3-sulfanyl-propyl)benzenesulfonic acid Openeye Name: 4-(2-amino-3-sulfanyl-propyl)benzenesulfonic acid CAS Name: 4-(2-amino-3-mercaptopropyl)benzenesulfonic acid IUPAC Name: 4-(2-amino-3-sulfanylpropyl)benzenesulfonic acid Traditional Name: 4-(2-amino-3-mercapto-propyl)besylic acid Formula: C9H13NO3S2 MolecularWeight: 247.33442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO3S2/c10-8(6-14)5-7-1-3-9(4-2-7)15(11,12)13/h1-4,8,14H,5-6,10H2,(H,11,12,13)