2-[(4-cyanophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-(3-pyrrolidinosulfonylphenyl)benzamide Formula: C25H23N3O3S2 MolecularWeight: 477.59842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H23N3O3S2/c26-17-19-10-12-20(13-11-19)18-32-24-9-2-1-8-23(24)25(29)27-21-6-5-7-22(16-21)33(30,31)28-14-3-4-15-28/h1-2,5-13,16H,3-4,14-15,18H2,(H,27,29)