4-methoxy-5-[(4-methylphenyl)sulfonylamino]-2-nitro-benzenesulfonate

Systemtic Name: 4-methoxy-5-[(4-methylphenyl)sulfonylamino]-2-nitro-benzenesulfonate Openeye Name: 4-methoxy-2-nitro-5-(p-tolylsulfonylamino)benzenesulfonate CAS Name: 4-methoxy-5-[(4-methylphenyl)sulfonylamino]-2-nitrobenzenesulfonate IUPAC Name: 4-methoxy-5-[(4-methylphenyl)sulfonylamino]-2-nitrobenzenesulfonate Traditional Name: 4-methoxy-2-nitro-5-(tosylamino)besylate Formula: C14H13N2O8S2- MolecularWeight: 401.39162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2OC)[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2OC)[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C14H14N2O8S2/c1-9-3-5-10(6-4-9)25(19,20)15-11-7-14(26(21,22)23)12(16(17)18)8-13(11)24-2/h3-8,15H,1-2H3,(H,21,22,23)/p-1