5-acetamido-3-azanyl-2-oxidanyl-benzenesulfonic acid; N-(3-azanyl-4-oxidanyl-phenyl)ethanamide

Systemtic Name: 5-acetamido-3-azanyl-2-oxidanyl-benzenesulfonic acid; N-(3-azanyl-4-oxidanyl-phenyl)ethanamide Openeye Name: 5-acetamido-3-amino-2-hydroxy-benzenesulfonic acid; N-(3-amino-4-hydroxy-phenyl)acetamide CAS Name: 5-acetamido-3-amino-2-hydroxybenzenesulfonic acid; N-(3-amino-4-hydroxyphenyl)acetamide IUPAC Name: 5-acetamido-3-amino-2-hydroxybenzenesulfonic acid; N-(3-amino-4-hydroxyphenyl)acetamide Traditional Name: 5-acetamido-3-amino-2-hydroxy-besylic acid; N-(3-amino-4-hydroxy-phenyl)acetamide Formula: C16H20N4O7S MolecularWeight: 412.4176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N2O5S.C8H10N2O2/c1-4(11)10-5-2-6(9)8(12)7(3-5)16(13,14)15;1-5(11)10-6-2-3-8(12)7(9)4-6/h2-3,12H,9H2,1H3,(H,10,11)(H,13,14,15);2-4,12H,9H2,1H3,(H,10,11)