2-chloranyl-2-[2-[(3-dodecylsulfonylbutanoylamino)carbamoyl-(phenylmethyl)amino]ethynyl]-4,4-dimethyl-3-oxidanylidene-N-phenyl-pentanamide

Systemtic Name: 2-chloranyl-2-[2-[(3-dodecylsulfonylbutanoylamino)carbamoyl-(phenylmethyl)amino]ethynyl]-4,4-dimethyl-3-oxidanylidene-N-phenyl-pentanamide Openeye Name: 2-[2-[benzyl-[(3-dodecylsulfonylbutanoylamino)carbamoyl]amino]ethynyl]-2-chloro-4,4-dimethyl-3-oxo-N-phenyl-pentanamide CAS Name: 2-chloro-2-[2-[[[(3-dodecylsulfonyl-1-oxobutyl)hydrazo]-oxomethyl]-(phenylmethyl)amino]ethynyl]-4,4-dimethyl-3-oxo-N-phenylpentanamide IUPAC Name: 2-[2-[benzyl-[(3-dodecylsulfonylbutanoylamino)carbamoyl]amino]ethynyl]-2-chloro-4,4-dimethyl-3-oxo-N-phenylpentanamide Traditional Name: 4-[benzyl-[(3-laurylsulfonylbutanoylamino)carbamoyl]amino]-2-chloro-N-phenyl-2-pivaloyl-but-3-ynamide Formula: C39H55ClN4O6S MolecularWeight: 743.3952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C(C)CC(=O)NNC(=O)N(CC1=CC=CC=C1)C#CC(C(=O)C(C)(C)C)(C(=O)NC2=CC=CC=C2)Cl

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C(C)CC(=O)NNC(=O)N(CC1=CC=CC=C1)C#CC(C(=O)C(C)(C)C)(C(=O)NC2=CC=CC=C2)Cl

InChI

InChI=1S/C39H55ClN4O6S/c1-6-7-8-9-10-11-12-13-14-21-28-51(49,50)31(2)29-34(45)42-43-37(48)44(30-32-22-17-15-18-23-32)27-26-39(40,35(46)38(3,4)5)36(47)41-33-24-19-16-20-25-33/h15-20,22-25,31H,6-14,21,28-30H2,1-5H3,(H,41,47)(H,42,45)(H,43,48)