(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (2-methyl-5-morpholinosulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-methyl-5-(4-morpholinylsulfonyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (2-methyl-5-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (2-methyl-5-morpholinosulfonyl-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H25N5O4S/c1-16-3-4-17(30(27,28)25-11-13-29-14-12-25)15-18(16)19(26)23-7-9-24(10-8-23)20-21-5-2-6-22-20/h2-6,15H,7-14H2,1H3