5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzene-1,3-dicarboxylate

Systemtic Name: 5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzene-1,3-dicarboxylate Openeye Name: 5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzene-1,3-dicarboxylate CAS Name: 5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzene-1,3-dicarboxylate IUPAC Name: 5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]isophthalate Formula: C19H15NO6S-2 MolecularWeight: 385.3905

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)S(=O)(=O)C3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)S(=O)(=O)C3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C19H17NO6S/c21-18(22)15-10-16(19(23)24)12-17(11-15)27(25,26)20-8-6-14(7-9-20)13-4-2-1-3-5-13/h1-6,10-12H,7-9H2,(H,21,22)(H,23,24)/p-2