[(1R)-1-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]ethyl] pentanoate

Systemtic Name: [(1R)-1-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]ethyl] pentanoate Openeye Name: [(1R)-1-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]ethyl] pentanoate CAS Name: pentanoic acid [(1R)-1-[4-[4-(dimethylsulfamoyl)-1-piperazinyl]-2-pyrimidinyl]ethyl] ester IUPAC Name: [(1R)-1-[4-[4-(dimethylsulfamoyl)piperazin-1-yl]pyrimidin-2-yl]ethyl] pentanoate Traditional Name: valeric acid [(1R)-1-[4-[4-(dimethylsulfamoyl)piperazino]pyrimidin-2-yl]ethyl] ester Formula: C17H29N5O4S MolecularWeight: 399.50826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(C)C1=NC=CC(=N1)N2CCN(CC2)S(=O)(=O)N(C)C

Isomeric SMILES

CCCCC(=O)O[C@H](C)C1=NC=CC(=N1)N2CCN(CC2)S(=O)(=O)N(C)C

InChI

InChI=1S/C17H29N5O4S/c1-5-6-7-16(23)26-14(2)17-18-9-8-15(19-17)21-10-12-22(13-11-21)27(24,25)20(3)4/h8-9,14H,5-7,10-13H2,1-4H3/t14-/m1/s1