4-acetamido-2-azanyl-5-ethyl-3-sulfanyl-benzenesulfonic acid

Systemtic Name: 4-acetamido-2-azanyl-5-ethyl-3-sulfanyl-benzenesulfonic acid Openeye Name: 4-acetamido-2-amino-5-ethyl-3-sulfanyl-benzenesulfonic acid CAS Name: 4-acetamido-2-amino-5-ethyl-3-mercaptobenzenesulfonic acid IUPAC Name: 4-acetamido-2-amino-5-ethyl-3-sulfanylbenzenesulfonic acid Traditional Name: 4-acetamido-2-amino-5-ethyl-3-mercapto-besylic acid Formula: C10H14N2O4S2 MolecularWeight: 290.35916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1NC(=O)C)S)N)S(=O)(=O)O

Isomeric SMILES

CCC1=CC(=C(C(=C1NC(=O)C)S)N)S(=O)(=O)O

InChI

InChI=1S/C10H14N2O4S2/c1-3-6-4-7(18(14,15)16)8(11)10(17)9(6)12-5(2)13/h4,17H,3,11H2,1-2H3,(H,12,13)(H,14,15,16)