4-(2-sulfanylpropanoylamino)benzenesulfonic acid

Systemtic Name: 4-(2-sulfanylpropanoylamino)benzenesulfonic acid Openeye Name: 4-(2-sulfanylpropanoylamino)benzenesulfonic acid CAS Name: 4-[(2-mercapto-1-oxopropyl)amino]benzenesulfonic acid IUPAC Name: 4-(2-sulfanylpropanoylamino)benzenesulfonic acid Traditional Name: 4-(2-mercaptopropanoylamino)besylic acid Formula: C9H11NO4S2 MolecularWeight: 261.31794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)O)S

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)O)S

InChI

InChI=1S/C9H11NO4S2/c1-6(15)9(11)10-7-2-4-8(5-3-7)16(12,13)14/h2-6,15H,1H3,(H,10,11)(H,12,13,14)