N-[(4-cyanophenyl)carbamoyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(4-cyanophenyl)carbamoyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4-cyanophenyl)carbamoyl]-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-[(4-cyanoanilino)-oxomethyl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(4-cyanophenyl)carbamoyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[(4-cyanophenyl)carbamoyl]-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N5O4S2/c21-12-15-4-6-16(7-5-15)23-20(27)24-18(26)14-30-19-9-8-17(13-22-19)31(28,29)25-10-2-1-3-11-25/h4-9,13H,1-3,10-11,14H2,(H2,23,24,26,27)