4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzenesulfonic acid; sodium

Systemtic Name: 4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzenesulfonic acid; sodium Openeye Name: 4-methoxy-3-(p-tolylsulfonylamino)benzenesulfonic acid; sodium CAS Name: 4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzenesulfonic acid; sodium IUPAC Name: 4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzenesulfonic acid; sodium Traditional Name: 4-methoxy-3-(tosylamino)besylic acid; sodium Formula: C14H15NNaO6S2 MolecularWeight: 380.39177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)O)OC.[Na]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)O)OC.[Na]

InChI

InChI=1S/C14H15NO6S2.Na/c1-10-3-5-11(6-4-10)22(16,17)15-13-9-12(23(18,19)20)7-8-14(13)21-2;/h3-9,15H,1-2H3,(H,18,19,20);