N-[4-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]phenyl]butanamide

Systemtic Name: N-[4-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]phenyl]butanamide Openeye Name: N-[4-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]phenyl]butanamide CAS Name: N-[4-[2-[[6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]ethylsulfamoyl]phenyl]butanamide IUPAC Name: N-[4-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]phenyl]butanamide Traditional Name: N-[4-[2-[6-(4-methylpiperazino)pyrimidin-4-yl]oxyethylsulfamoyl]phenyl]butyramide Formula: C21H30N6O4S MolecularWeight: 462.5657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCN(CC3)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCN(CC3)C

InChI

InChI=1S/C21H30N6O4S/c1-3-4-20(28)25-17-5-7-18(8-6-17)32(29,30)24-9-14-31-21-15-19(22-16-23-21)27-12-10-26(2)11-13-27/h5-8,15-16,24H,3-4,9-14H2,1-2H3,(H,25,28)