N-methylsulfonyl-2-[2-oxidanyl-3-oxidanylidene-1-[4-(8-phenyloctyl)phenyl]propyl]sulfanyl-benzamide

Systemtic Name: N-methylsulfonyl-2-[2-oxidanyl-3-oxidanylidene-1-[4-(8-phenyloctyl)phenyl]propyl]sulfanyl-benzamide Openeye Name: 2-[2-hydroxy-3-oxo-1-[4-(8-phenyloctyl)phenyl]propyl]sulfanyl-N-methylsulfonyl-benzamide CAS Name: 2-[[2-hydroxy-3-oxo-1-[4-(8-phenyloctyl)phenyl]propyl]thio]-N-methylsulfonylbenzamide IUPAC Name: 2-[2-hydroxy-3-oxo-1-[4-(8-phenyloctyl)phenyl]propyl]sulfanyl-N-methylsulfonylbenzamide Traditional Name: 2-[[2-hydroxy-3-keto-1-[4-(8-phenyloctyl)phenyl]propyl]thio]-N-mesyl-benzamide Formula: C31H37NO5S2 MolecularWeight: 567.75918

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=O)C1=CC=CC=C1SC(C2=CC=C(C=C2)CCCCCCCCC3=CC=CC=C3)C(C=O)O

Isomeric SMILES

CS(=O)(=O)NC(=O)C1=CC=CC=C1SC(C2=CC=C(C=C2)CCCCCCCCC3=CC=CC=C3)C(C=O)O

InChI

InChI=1S/C31H37NO5S2/c1-39(36,37)32-31(35)27-17-11-12-18-29(27)38-30(28(34)23-33)26-21-19-25(20-22-26)16-8-5-3-2-4-7-13-24-14-9-6-10-15-24/h6,9-12,14-15,17-23,28,30,34H,2-5,7-8,13,16H2,1H3,(H,32,35)