3-acetamido-6-azanyl-4-ethyl-2-sulfanyl-benzenesulfonic acid

Systemtic Name: 3-acetamido-6-azanyl-4-ethyl-2-sulfanyl-benzenesulfonic acid Openeye Name: 3-acetamido-6-amino-4-ethyl-2-sulfanyl-benzenesulfonic acid CAS Name: 3-acetamido-6-amino-4-ethyl-2-mercaptobenzenesulfonic acid IUPAC Name: 3-acetamido-6-amino-4-ethyl-2-sulfanylbenzenesulfonic acid Traditional Name: 3-acetamido-6-amino-4-ethyl-2-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)S(=O)(=O)O)N

Isomeric SMILES

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

InChI

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