2-[4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-1-[2-[6-(oxidanylidenemethylidene)-1H-pyrimidin-2-yl]pyridin-3-yl]piperazin-2-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-1-[2-[6-(oxidanylidenemethylidene)-1H-pyrimidin-2-yl]pyridin-3-yl]piperazin-2-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(6-chlorobenzothiophen-2-yl)sulfonyl-1-[2-[6-(oxomethylene)-1H-pyrimidin-2-yl]-3-pyridyl]piperazin-2-yl]-1-morpholino-ethanone CAS Name: 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-[2-[6-(oxomethylidene)-1H-pyrimidin-2-yl]-3-pyridinyl]-2-piperazinyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-[2-[6-(oxomethylidene)-1H-pyrimidin-2-yl]pyridin-3-yl]piperazin-2-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-(6-chlorobenzothiophen-2-yl)sulfonyl-1-[2-[6-(ketomethylene)-1H-pyrimidin-2-yl]-3-pyridyl]piperazin-2-yl]-1-morpholino-ethanone Formula: C28H27ClN6O5S2 MolecularWeight: 627.13418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC(=O)N4CCOCC4)C5=C(N=CC=C5)C6=NC=CC(=C=O)N6

Isomeric SMILES

C1CN(C(CN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC(=O)N4CCOCC4)C5=C(N=CC=C5)C6=NC=CC(=C=O)N6

InChI

InChI=1S/C28H27ClN6O5S2/c29-20-4-3-19-14-26(41-24(19)15-20)42(38,39)34-8-9-35(22(17-34)16-25(37)33-10-12-40-13-11-33)23-2-1-6-30-27(23)28-31-7-5-21(18-36)32-28/h1-7,14-15,22H,8-13,16-17H2,(H,31,32)