N-[(4-chlorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(4-chlorobenzyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C18H20ClN3O3S2 MolecularWeight: 425.9527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O3S2/c19-15-5-3-14(4-6-15)11-20-17(23)13-26-18-8-7-16(12-21-18)27(24,25)22-9-1-2-10-22/h3-8,12H,1-2,9-11,13H2,(H,20,23)