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

Systemtic Name: (2S,6S)-6-(4-tert-butylphenyl)-1-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-3,6-dihydro-2H-pyridine-5-carboxylic acid Openeye Name: (2S,6S)-6-(4-tert-butylphenyl)-1-(p-tolylsulfonyl)-2-(2-thienyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid CAS Name: (2S,6S)-6-(4-tert-butylphenyl)-1-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-3,6-dihydro-2H-pyridine-5-carboxylic acid IUPAC Name: (2S,6S)-6-(4-tert-butylphenyl)-1-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-3,6-dihydro-2H-pyridine-5-carboxylic acid Traditional Name: (2S,6S)-6-(4-tert-butylphenyl)-2-(2-thienyl)-1-tosyl-3,6-dihydro-2H-pyridine-5-carboxylic acid Formula: C27H29NO4S2 MolecularWeight: 495.65346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC=C(C2C3=CC=C(C=C3)C(C)(C)C)C(=O)O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](CC=C([C@@H]2C3=CC=C(C=C3)C(C)(C)C)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C27H29NO4S2/c1-18-7-13-21(14-8-18)34(31,32)28-23(24-6-5-17-33-24)16-15-22(26(29)30)25(28)19-9-11-20(12-10-19)27(2,3)4/h5-15,17,23,25H,16H2,1-4H3,(H,29,30)/t23-,25-/m0/s1