5-[4-(2-methylphenoxy)phenyl]sulfonylazanidylbenzene-1,3-dicarboxylate

Systemtic Name: 5-[4-(2-methylphenoxy)phenyl]sulfonylazanidylbenzene-1,3-dicarboxylate Openeye Name: 5-[4-(2-methylphenoxy)phenyl]sulfonylazanidylbenzene-1,3-dicarboxylate CAS Name: 5-[4-(2-methylphenoxy)phenyl]sulfonylazanidylbenzene-1,3-dicarboxylate IUPAC Name: 5-[4-(2-methylphenoxy)phenyl]sulfonylazanidylbenzene-1,3-dicarboxylate Traditional Name: 5-[4-(2-methylphenoxy)phenyl]sulfonylazanidylisophthalate Formula: C21H14NO7S-3 MolecularWeight: 424.40336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)[N-]C3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)[N-]C3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H16NO7S/c1-13-4-2-3-5-19(13)29-17-6-8-18(9-7-17)30(27,28)22-16-11-14(20(23)24)10-15(12-16)21(25)26/h2-12H,1H3,(H,23,24)(H,25,26)/q-1/p-2