4-butyl-5-methoxy-2-[[2-(methylsulfonylamino)-3-naphthalen-2-ylsulfinyl-propanoyl]amino]-2-oxidanyl-3-phenyl-cyclohexane-1-carboxylic acid

Systemtic Name: 4-butyl-5-methoxy-2-[[2-(methylsulfonylamino)-3-naphthalen-2-ylsulfinyl-propanoyl]amino]-2-oxidanyl-3-phenyl-cyclohexane-1-carboxylic acid Openeye Name: 4-butyl-2-hydroxy-2-[[2-(methanesulfonamido)-3-(2-naphthylsulfinyl)propanoyl]amino]-5-methoxy-3-phenyl-cyclohexanecarboxylic acid CAS Name: 4-butyl-2-hydroxy-2-[[2-(methanesulfonamido)-3-(2-naphthalenylsulfinyl)-1-oxopropyl]amino]-5-methoxy-3-phenyl-1-cyclohexanecarboxylic acid IUPAC Name: 4-butyl-2-hydroxy-2-[[2-(methanesulfonamido)-3-naphthalen-2-ylsulfinylpropanoyl]amino]-5-methoxy-3-phenylcyclohexane-1-carboxylic acid Traditional Name: 4-butyl-2-hydroxy-2-[[2-(methanesulfonamido)-3-(2-naphthylsulfinyl)propanoyl]amino]-5-methoxy-3-phenyl-cyclohexanecarboxylic acid Formula: C32H40N2O8S2 MolecularWeight: 644.7986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(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)OC

Isomeric SMILES

CCCCC1C(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)OC

InChI

InChI=1S/C32H40N2O8S2/c1-4-5-15-25-28(42-2)19-26(31(36)37)32(38,29(25)22-12-7-6-8-13-22)33-30(35)27(34-44(3,40)41)20-43(39)24-17-16-21-11-9-10-14-23(21)18-24/h6-14,16-18,25-29,34,38H,4-5,15,19-20H2,1-3H3,(H,33,35)(H,36,37)