(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (4-methoxy-3-morpholinosulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (4-methoxy-3-morpholinosulfonyl-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C20H25N5O5S MolecularWeight: 447.508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H25N5O5S/c1-29-17-4-3-16(15-18(17)31(27,28)25-11-13-30-14-12-25)19(26)23-7-9-24(10-8-23)20-21-5-2-6-22-20/h2-6,15H,7-14H2,1H3