N,N-bis(2-cyanoethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C17H21N5O3S2/c18-7-3-9-21(10-4-8-19)17(23)14-26-16-6-5-15(13-20-16)27(24,25)22-11-1-2-12-22/h5-6,13H,1-4,9-12,14H2