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

Systemtic Name: (4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (4-ethyl-3-morpholinosulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-ethyl-3-(4-morpholinylsulfonyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-ethyl-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (4-ethyl-3-morpholinosulfonyl-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H27N5O4S/c1-2-17-4-5-18(16-19(17)31(28,29)26-12-14-30-15-13-26)20(27)24-8-10-25(11-9-24)21-22-6-3-7-23-21/h3-7,16H,2,8-15H2,1H3