methyl 2-[4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-1-(5-pyridin-2-ylpyrimidin-2-yl)carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-1-(5-pyridin-2-ylpyrimidin-2-yl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[4-(6-chlorobenzothiophen-2-yl)sulfonyl-1-[5-(2-pyridyl)pyrimidine-2-carbonyl]piperazin-2-yl]acetate CAS Name: 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-[oxo-[5-(2-pyridinyl)-2-pyrimidinyl]methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-(5-pyridin-2-ylpyrimidine-2-carbonyl)piperazin-2-yl]acetate Traditional Name: 2-[4-(6-chlorobenzothiophen-2-yl)sulfonyl-1-[5-(2-pyridyl)pyrimidine-2-carbonyl]piperazin-2-yl]acetic acid methyl ester Formula: C25H22ClN5O5S2 MolecularWeight: 572.05568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CN(CCN1C(=O)C2=NC=C(C=N2)C3=CC=CC=N3)S(=O)(=O)C4=CC5=C(S4)C=C(C=C5)Cl

Isomeric SMILES

COC(=O)CC1CN(CCN1C(=O)C2=NC=C(C=N2)C3=CC=CC=N3)S(=O)(=O)C4=CC5=C(S4)C=C(C=C5)Cl

InChI

InChI=1S/C25H22ClN5O5S2/c1-36-22(32)12-19-15-30(38(34,35)23-10-16-5-6-18(26)11-21(16)37-23)8-9-31(19)25(33)24-28-13-17(14-29-24)20-4-2-3-7-27-20/h2-7,10-11,13-14,19H,8-9,12,15H2,1H3