N-(pyridin-3-ylmethyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(pyridin-3-ylmethyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanamide Openeye Name: N-(3-pyridylmethyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-acetamide CAS Name: N-(3-pyridinylmethyl)-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]thio]acetamide IUPAC Name: N-(pyridin-3-ylmethyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylacetamide Traditional Name: N-(3-pyridylmethyl)-2-[(4-pyrrolidinosulfonylphenyl)thio]acetamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)SCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)SCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C18H21N3O3S2/c22-18(20-13-15-4-3-9-19-12-15)14-25-16-5-7-17(8-6-16)26(23,24)21-10-1-2-11-21/h3-9,12H,1-2,10-11,13-14H2,(H,20,22)