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

Systemtic Name: ethyl (2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylate Openeye Name: ethyl (2S)-2-(3-chlorophenyl)-1-(p-tolylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate CAS Name: (2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylate Traditional Name: (2S)-2-(3-chlorophenyl)-1-tosyl-3,6-dihydro-2H-pyridine-5-carboxylic acid ethyl ester Formula: C21H22ClNO4S MolecularWeight: 419.92168

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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(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H22ClNO4S/c1-3-27-21(24)17-9-12-20(16-5-4-6-18(22)13-16)23(14-17)28(25,26)19-10-7-15(2)8-11-19/h4-11,13,20H,3,12,14H2,1-2H3/t20-/m0/s1