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

Systemtic Name: 2-[4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-1-(5-pyridin-2-ylpyrimidin-2-yl)carbonyl-piperazin-2-yl]-1-thiomorpholin-4-yl-ethanone Openeye Name: 2-[4-(6-chlorobenzothiophen-2-yl)sulfonyl-1-[5-(2-pyridyl)pyrimidine-2-carbonyl]piperazin-2-yl]-1-thiomorpholino-ethanone CAS Name: 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-[oxo-[5-(2-pyridinyl)-2-pyrimidinyl]methyl]-2-piperazinyl]-1-thiomorpholin-4-ylethanone IUPAC Name: 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-(5-pyridin-2-ylpyrimidine-2-carbonyl)piperazin-2-yl]-1-thiomorpholin-4-ylethanone Traditional Name: 2-[4-(6-chlorobenzothiophen-2-yl)sulfonyl-1-[5-(2-pyridyl)pyrimidine-2-carbonyl]piperazin-2-yl]-1-thiomorpholino-ethanone Formula: C28H27ClN6O4S3 MolecularWeight: 643.19978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC(=O)N4CCSCC4)C(=O)C5=NC=C(C=N5)C6=CC=CC=N6

Isomeric SMILES

C1CN(C(CN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC(=O)N4CCSCC4)C(=O)C5=NC=C(C=N5)C6=CC=CC=N6

InChI

InChI=1S/C28H27ClN6O4S3/c29-21-5-4-19-13-26(41-24(19)14-21)42(38,39)34-7-8-35(22(18-34)15-25(36)33-9-11-40-12-10-33)28(37)27-31-16-20(17-32-27)23-3-1-2-6-30-23/h1-6,13-14,16-17,22H,7-12,15,18H2