N-[2-(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(4-keto-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-4-piperidinosulfonyl-benzamide Formula: C26H26N6O4S2 MolecularWeight: 550.65244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=NN3C4=NC(=O)C5=C(N4)CCC5)C6=CC=CS6

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=NN3C4=NC(=O)C5=C(N4)CCC5)C6=CC=CS6

InChI

InChI=1S/C26H26N6O4S2/c33-24(17-9-11-18(12-10-17)38(35,36)31-13-2-1-3-14-31)28-23-16-21(22-8-5-15-37-22)30-32(23)26-27-20-7-4-6-19(20)25(34)29-26/h5,8-12,15-16H,1-4,6-7,13-14H2,(H,28,33)(H,27,29,34)