1,3-bis(butylsulfonyl)propan-2-yl 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: 1,3-bis(butylsulfonyl)propan-2-yl 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [2-butylsulfonyl-1-(butylsulfonylmethyl)ethyl] 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]thio]acetic acid 1,3-bis(butylsulfonyl)propan-2-yl ester IUPAC Name: 1,3-bis(butylsulfonyl)propan-2-yl 2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]thio]acetic acid [2-butylsulfonyl-1-(butylsulfonylmethyl)ethyl] ester Formula: C32H38N2O6S3 MolecularWeight: 642.84892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(CS(=O)(=O)CCCC)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCS(=O)(=O)CC(CS(=O)(=O)CCCC)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C32H38N2O6S3/c1-4-6-17-42(36,37)22-27(23-43(38,39)18-7-5-2)40-31(35)21-41-32-29(20-33)28(25-11-9-8-10-12-25)19-30(34-32)26-15-13-24(3)14-16-26/h8-16,19,27H,4-7,17-18,21-23H2,1-3H3