4-chloranyl-N-[[5-[4-(pyrimidin-2-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

Systemtic Name: 4-chloranyl-N-[[5-[4-(pyrimidin-2-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide Openeye Name: 4-chloro-N-[[5-[[4-(pyrimidin-2-ylamino)-1-piperidyl]sulfonyl]-2-thienyl]methyl]benzamide CAS Name: 4-chloro-N-[[5-[[4-(2-pyrimidinylamino)-1-piperidinyl]sulfonyl]-2-thiophenyl]methyl]benzamide IUPAC Name: 4-chloro-N-[[5-[4-(pyrimidin-2-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide Traditional Name: 4-chloro-N-[[5-[4-(2-pyrimidylamino)piperidino]sulfonyl-2-thienyl]methyl]benzamide Formula: C21H22ClN5O3S2 MolecularWeight: 492.01408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC=CC=N2)S(=O)(=O)C3=CC=C(S3)CNC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1NC2=NC=CC=N2)S(=O)(=O)C3=CC=C(S3)CNC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN5O3S2/c22-16-4-2-15(3-5-16)20(28)25-14-18-6-7-19(31-18)32(29,30)27-12-8-17(9-13-27)26-21-23-10-1-11-24-21/h1-7,10-11,17H,8-9,12-14H2,(H,25,28)(H,23,24,26)