N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

Systemtic Name: N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Openeye Name: N-(3-morpholinosulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide CAS Name: N-[3-(4-morpholinylsulfonyl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Traditional Name: N-(3-morpholinosulfonylphenyl)-2-[4-(2-pyrimidyl)piperazino]propionamide Formula: C21H28N6O4S MolecularWeight: 460.54982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N6O4S/c1-17(25-8-10-26(11-9-25)21-22-6-3-7-23-21)20(28)24-18-4-2-5-19(16-18)32(29,30)27-12-14-31-15-13-27/h2-7,16-17H,8-15H2,1H3,(H,24,28)