5-acetamido-3-azanyl-2-methyl-benzenesulfonic acid

Systemtic Name: 5-acetamido-3-azanyl-2-methyl-benzenesulfonic acid Openeye Name: 5-acetamido-3-amino-2-methyl-benzenesulfonic acid CAS Name: 5-acetamido-3-amino-2-methylbenzenesulfonic acid IUPAC Name: 5-acetamido-3-amino-2-methylbenzenesulfonic acid Traditional Name: 5-acetamido-3-amino-2-methyl-besylic acid Formula: C9H12N2O4S MolecularWeight: 244.26758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)O)NC(=O)C)N

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)O)NC(=O)C)N

InChI

InChI=1S/C9H12N2O4S/c1-5-8(10)3-7(11-6(2)12)4-9(5)16(13,14)15/h3-4H,10H2,1-2H3,(H,11,12)(H,13,14,15)