4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]-N-methylsulfonyl-butanamide

Systemtic Name: 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]-N-methylsulfonyl-butanamide Openeye Name: 4-[4-isocyano-2-[2-(1-naphthyl)propanoylamino]phenyl]-N-methylsulfonyl-butanamide CAS Name: 4-[4-isocyano-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]-N-methylsulfonylbutanamide IUPAC Name: 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]-N-methylsulfonylbutanamide Traditional Name: 4-[4-isocyano-2-[2-(1-naphthyl)propanoylamino]phenyl]-N-mesyl-butyramide Formula: C25H25N3O4S MolecularWeight: 463.5487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)[N+]#[C-])CCCC(=O)NS(=O)(=O)C

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)[N+]#[C-])CCCC(=O)NS(=O)(=O)C

InChI

InChI=1S/C25H25N3O4S/c1-17(21-12-6-9-18-8-4-5-11-22(18)21)25(30)27-23-16-20(26-2)15-14-19(23)10-7-13-24(29)28-33(3,31)32/h4-6,8-9,11-12,14-17H,7,10,13H2,1,3H3,(H,27,30)(H,28,29)