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

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-1-(p-tolylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-1-tosyl-3,6-dihydro-2H-pyridine-5-carboxylic acid Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CCC2C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC[C@H]2C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C20H19NO6S/c1-13-2-6-16(7-3-13)28(24,25)21-11-15(20(22)23)4-8-17(21)14-5-9-18-19(10-14)27-12-26-18/h2-7,9-10,17H,8,11-12H2,1H3,(H,22,23)/t17-/m0/s1