N-(1-cyano-3-phenyl-propyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methyl-pentanamide

Systemtic Name: N-(1-cyano-3-phenyl-propyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methyl-pentanamide Openeye Name: N-(1-cyano-3-phenyl-propyl)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-4-methyl-pentanamide CAS Name: N-(1-cyano-3-phenylpropyl)-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-4-methylpentanamide IUPAC Name: N-(1-cyano-3-phenylpropyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methylpentanamide Traditional Name: N-(1-cyano-3-phenyl-propyl)-4-methyl-2-(naphthionylamino)valeramide Formula: C28H34N4O3S MolecularWeight: 506.65956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC1=CC=CC=C1)C#N)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

Isomeric SMILES

CC(C)CC(C(=O)NC(CCC1=CC=CC=C1)C#N)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

InChI

InChI=1S/C28H34N4O3S/c1-20(2)18-25(28(33)30-22(19-29)17-16-21-10-6-5-7-11-21)31-36(34,35)27-15-9-12-23-24(27)13-8-14-26(23)32(3)4/h5-15,20,22,25,31H,16-18H2,1-4H3,(H,30,33)