3-azanyl-4-(4-methylphenyl)sulfonyl-benzenesulfonic acid

Systemtic Name: 3-azanyl-4-(4-methylphenyl)sulfonyl-benzenesulfonic acid Openeye Name: 3-amino-4-(p-tolylsulfonyl)benzenesulfonic acid CAS Name: 3-amino-4-(4-methylphenyl)sulfonylbenzenesulfonic acid IUPAC Name: 3-amino-4-(4-methylphenyl)sulfonylbenzenesulfonic acid Traditional Name: 3-amino-4-tosyl-besylic acid Formula: C13H13NO5S2 MolecularWeight: 327.37602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5S2/c1-9-2-4-10(5-3-9)20(15,16)13-7-6-11(8-12(13)14)21(17,18)19/h2-8H,14H2,1H3,(H,17,18,19)