5-chloranyl-2-methylsulfonyl-N-[3-(phenethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfonyl-N-[3-(phenethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfonyl-N-[3-(phenethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-methylsulfonyl-N-[3-[oxo-(phenethylamino)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfonyl-N-[3-(phenethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-mesyl-N-[3-(phenethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyrimidine-4-carboxamide Formula: C22H21ClN4O4S2 MolecularWeight: 505.00954

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)NCCC4=CC=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)NCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H21ClN4O4S2/c1-33(30,31)22-25-12-15(23)18(26-22)20(29)27-21-17(14-8-5-9-16(14)32-21)19(28)24-11-10-13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3,(H,24,28)(H,27,29)