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

Systemtic Name: 2-[(3-cyanophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(3-cyanophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(3-cyanophenyl)methylthio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(3-cyanophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(3-cyanobenzyl)thio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H21N3O3S2/c21-13-16-5-3-6-17(11-16)14-27-15-20(24)22-18-7-4-8-19(12-18)28(25,26)23-9-1-2-10-23/h3-8,11-12H,1-2,9-10,14-15H2,(H,22,24)