N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4-cyclopentylsulfonylphenyl)amino]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4-cyclopentylsulfonylphenyl)amino]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-cyclopentylsulfonylanilino)acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-(4-cyclopentylsulfonylanilino)acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-cyclopentylsulfonylanilino)acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(4-cyclopentylsulfonylanilino)acetamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1CCC(C1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C21H23N3O3S2/c22-13-14-28-20-8-4-3-7-19(20)24-21(25)15-23-16-9-11-18(12-10-16)29(26,27)17-5-1-2-6-17/h3-4,7-12,17,23H,1-2,5-6,14-15H2,(H,24,25)