N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methyl-2-(2-naphthylsulfonylamino)butanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-methyl-2-(2-naphthalenylsulfonylamino)butanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-methyl-2-(2-naphthylsulfonylamino)butyramide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCSCC1=CC=CC=C1C#N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)C(C(=O)NCCSCC1=CC=CC=C1C#N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H27N3O3S2/c1-18(2)24(25(29)27-13-14-32-17-22-10-6-5-9-21(22)16-26)28-33(30,31)23-12-11-19-7-3-4-8-20(19)15-23/h3-12,15,18,24,28H,13-14,17H2,1-2H3,(H,27,29)