2-[[2-chloranyl-1-[2-(phenylsulfonyl)phenoxy]hexadecan-5-yl]sulfonylamino]-4,4-dimethyl-3-oxidanylidene-N-phenyl-pentanamide

Systemtic Name: 2-[[2-chloranyl-1-[2-(phenylsulfonyl)phenoxy]hexadecan-5-yl]sulfonylamino]-4,4-dimethyl-3-oxidanylidene-N-phenyl-pentanamide Openeye Name: 2-[1-[4-[2-(benzenesulfonyl)phenoxy]-3-chloro-butyl]dodecylsulfonylamino]-4,4-dimethyl-3-oxo-N-phenyl-pentanamide CAS Name: 2-[[1-[2-(benzenesulfonyl)phenoxy]-2-chlorohexadecan-5-yl]sulfonylamino]-4,4-dimethyl-3-oxo-N-phenylpentanamide IUPAC Name: 2-[[1-[2-(benzenesulfonyl)phenoxy]-2-chlorohexadecan-5-yl]sulfonylamino]-4,4-dimethyl-3-oxo-N-phenylpentanamide Traditional Name: 2-[1-[4-(2-besylphenoxy)-3-chloro-butyl]dodecylsulfonylamino]-3-keto-4,4-dimethyl-N-phenyl-valeramide Formula: C41H57ClN2O7S2 MolecularWeight: 789.48348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCC(COC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2)Cl)S(=O)(=O)NC(C(=O)C(C)(C)C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCC(CCC(COC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2)Cl)S(=O)(=O)NC(C(=O)C(C)(C)C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C41H57ClN2O7S2/c1-5-6-7-8-9-10-11-12-17-26-35(53(49,50)44-38(39(45)41(2,3)4)40(46)43-33-22-15-13-16-23-33)30-29-32(42)31-51-36-27-20-21-28-37(36)52(47,48)34-24-18-14-19-25-34/h13-16,18-25,27-28,32,35,38,44H,5-12,17,26,29-31H2,1-4H3,(H,43,46)