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

Systemtic Name: dimethyl 5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 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-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 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]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCC(=CC2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCC(=CC2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H21NO6S/c1-27-20(23)17-12-18(21(24)28-2)14-19(13-17)29(25,26)22-10-8-16(9-11-22)15-6-4-3-5-7-15/h3-8,12-14H,9-11H2,1-2H3