ethyl 1-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate

Systemtic Name: ethyl 1-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate Openeye Name: ethyl 2-(4-nitrophenyl)-1-(p-tolylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate Traditional Name: 2-(4-nitrophenyl)-1-tosyl-3,6-dihydro-2H-pyridine-5-carboxylic acid ethyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CCC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6S/c1-3-29-21(24)17-8-13-20(16-6-9-18(10-7-16)23(25)26)22(14-17)30(27,28)19-11-4-15(2)5-12-19/h4-12,20H,3,13-14H2,1-2H3