N-(2-chloranyl-5-methylsulfonyl-phenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-1-(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)isonipecotamide Formula: C21H23ClN4O3S2 MolecularWeight: 479.01532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)C)Cl)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)C)Cl)C

InChI

InChI=1S/C21H23ClN4O3S2/c1-12-13(2)30-21-18(12)19(23-11-24-21)26-8-6-14(7-9-26)20(27)25-17-10-15(31(3,28)29)4-5-16(17)22/h4-5,10-11,14H,6-9H2,1-3H3,(H,25,27)