5-(4-acetamido-2-azanyl-phenyl)sulfonyl-2-methyl-benzenesulfonic acid

Systemtic Name: 5-(4-acetamido-2-azanyl-phenyl)sulfonyl-2-methyl-benzenesulfonic acid Openeye Name: 5-(4-acetamido-2-amino-phenyl)sulfonyl-2-methyl-benzenesulfonic acid CAS Name: 5-(4-acetamido-2-aminophenyl)sulfonyl-2-methylbenzenesulfonic acid IUPAC Name: 5-(4-acetamido-2-aminophenyl)sulfonyl-2-methylbenzenesulfonic acid Traditional Name: 5-(4-acetamido-2-amino-phenyl)sulfonyl-2-methyl-besylic acid Formula: C15H16N2O6S2 MolecularWeight: 384.42734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)NC(=O)C)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)NC(=O)C)N)S(=O)(=O)O

InChI

InChI=1S/C15H16N2O6S2/c1-9-3-5-12(8-15(9)25(21,22)23)24(19,20)14-6-4-11(7-13(14)16)17-10(2)18/h3-8H,16H2,1-2H3,(H,17,18)(H,21,22,23)