4-butyl-4-methyl-2-[[2-(methylsulfonylamino)-3-naphthalen-2-ylsulfinyl-propanoyl]amino]-2-oxidanyl-3-phenyl-cyclopentane-1-carboxylic acid

Systemtic Name: 4-butyl-4-methyl-2-[[2-(methylsulfonylamino)-3-naphthalen-2-ylsulfinyl-propanoyl]amino]-2-oxidanyl-3-phenyl-cyclopentane-1-carboxylic acid Openeye Name: 4-butyl-2-hydroxy-2-[[2-(methanesulfonamido)-3-(2-naphthylsulfinyl)propanoyl]amino]-4-methyl-3-phenyl-cyclopentanecarboxylic acid CAS Name: 4-butyl-2-hydroxy-2-[[2-(methanesulfonamido)-3-(2-naphthalenylsulfinyl)-1-oxopropyl]amino]-4-methyl-3-phenyl-1-cyclopentanecarboxylic acid IUPAC Name: 4-butyl-2-hydroxy-2-[[2-(methanesulfonamido)-3-naphthalen-2-ylsulfinylpropanoyl]amino]-4-methyl-3-phenylcyclopentane-1-carboxylic acid Traditional Name: 4-butyl-2-hydroxy-2-[[2-(methanesulfonamido)-3-(2-naphthylsulfinyl)propanoyl]amino]-4-methyl-3-phenyl-cyclopentanecarboxylic acid Formula: C31H38N2O7S2 MolecularWeight: 614.77262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC(C(C1C2=CC=CC=C2)(NC(=O)C(CS(=O)C3=CC4=CC=CC=C4C=C3)NS(=O)(=O)C)O)C(=O)O)C

Isomeric SMILES

CCCCC1(CC(C(C1C2=CC=CC=C2)(NC(=O)C(CS(=O)C3=CC4=CC=CC=C4C=C3)NS(=O)(=O)C)O)C(=O)O)C

InChI

InChI=1S/C31H38N2O7S2/c1-4-5-17-30(2)19-25(29(35)36)31(37,27(30)22-12-7-6-8-13-22)32-28(34)26(33-42(3,39)40)20-41(38)24-16-15-21-11-9-10-14-23(21)18-24/h6-16,18,25-27,33,37H,4-5,17,19-20H2,1-3H3,(H,32,34)(H,35,36)