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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methyl-2-(phenylsulfonylamino)butanamide Openeye Name: 2-(benzenesulfonamido)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methyl-butanamide CAS Name: 2-(benzenesulfonamido)-N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-methylbutanamide IUPAC Name: 2-(benzenesulfonamido)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methylbutanamide Traditional Name: 2-(benzenesulfonamido)-N-[2-[(2-cyanobenzyl)thio]ethyl]-3-methyl-butyramide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S2/c1-16(2)20(24-29(26,27)19-10-4-3-5-11-19)21(25)23-12-13-28-15-18-9-7-6-8-17(18)14-22/h3-11,16,20,24H,12-13,15H2,1-2H3,(H,23,25)