(2S)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)-1-(p-tolylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid Traditional Name: (2S)-2-(3,4-dimethoxyphenyl)-1-tosyl-3,6-dihydro-2H-pyridine-5-carboxylic acid Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CCC2C3=CC(=C(C=C3)OC)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC[C@H]2C3=CC(=C(C=C3)OC)OC)C(=O)O

InChI

InChI=1S/C21H23NO6S/c1-14-4-8-17(9-5-14)29(25,26)22-13-16(21(23)24)6-10-18(22)15-7-11-19(27-2)20(12-15)28-3/h4-9,11-12,18H,10,13H2,1-3H3,(H,23,24)/t18-/m0/s1