N-[1-(2,5-dimethylcyclohexyl)-2-oxidanyl-pentan-3-yl]-2-(methylsulfonylamino)-3-quinolin-2-ylsulfonyl-propanamide

Systemtic Name: N-[1-(2,5-dimethylcyclohexyl)-2-oxidanyl-pentan-3-yl]-2-(methylsulfonylamino)-3-quinolin-2-ylsulfonyl-propanamide Openeye Name: N-[3-(2,5-dimethylcyclohexyl)-1-ethyl-2-hydroxy-propyl]-2-(methanesulfonamido)-3-(2-quinolylsulfonyl)propanamide CAS Name: N-[1-(2,5-dimethylcyclohexyl)-2-hydroxypentan-3-yl]-2-(methanesulfonamido)-3-(2-quinolinylsulfonyl)propanamide IUPAC Name: N-[1-(2,5-dimethylcyclohexyl)-2-hydroxypentan-3-yl]-2-(methanesulfonamido)-3-quinolin-2-ylsulfonylpropanamide Traditional Name: N-[3-(2,5-dimethylcyclohexyl)-1-ethyl-2-hydroxy-propyl]-2-(methanesulfonamido)-3-(2-quinolylsulfonyl)propionamide Formula: C26H39N3O6S2 MolecularWeight: 553.73436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC1CC(CCC1C)C)O)NC(=O)C(CS(=O)(=O)C2=NC3=CC=CC=C3C=C2)NS(=O)(=O)C

Isomeric SMILES

CCC(C(CC1CC(CCC1C)C)O)NC(=O)C(CS(=O)(=O)C2=NC3=CC=CC=C3C=C2)NS(=O)(=O)C

InChI

InChI=1S/C26H39N3O6S2/c1-5-21(24(30)15-20-14-17(2)10-11-18(20)3)28-26(31)23(29-36(4,32)33)16-37(34,35)25-13-12-19-8-6-7-9-22(19)27-25/h6-9,12-13,17-18,20-21,23-24,29-30H,5,10-11,14-16H2,1-4H3,(H,28,31)