[4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-2-ethyl-piperazin-1-yl]-(5-pyridin-4-ylpyrimidin-2-yl)methanone

Systemtic Name: [4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-2-ethyl-piperazin-1-yl]-(5-pyridin-4-ylpyrimidin-2-yl)methanone Openeye Name: [4-(6-chlorobenzothiophen-2-yl)sulfonyl-2-ethyl-piperazin-1-yl]-[5-(4-pyridyl)pyrimidin-2-yl]methanone CAS Name: [4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-ethyl-1-piperazinyl]-(5-pyridin-4-yl-2-pyrimidinyl)methanone IUPAC Name: [4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-ethylpiperazin-1-yl]-(5-pyridin-4-ylpyrimidin-2-yl)methanone Traditional Name: [4-(6-chlorobenzothiophen-2-yl)sulfonyl-2-ethyl-piperazino]-[5-(4-pyridyl)pyrimidin-2-yl]methanone Formula: C24H22ClN5O3S2 MolecularWeight: 528.04618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1C(=O)C2=NC=C(C=N2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(S4)C=C(C=C5)Cl

Isomeric SMILES

CCC1CN(CCN1C(=O)C2=NC=C(C=N2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(S4)C=C(C=C5)Cl

InChI

InChI=1S/C24H22ClN5O3S2/c1-2-20-15-29(35(32,33)22-11-17-3-4-19(25)12-21(17)34-22)9-10-30(20)24(31)23-27-13-18(14-28-23)16-5-7-26-8-6-16/h3-8,11-14,20H,2,9-10,15H2,1H3