N-[4-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]phenyl]-2-methyl-propanamide

Systemtic Name: N-[4-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]phenyl]-2-methyl-propanamide Openeye Name: N-[4-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]phenyl]-2-methyl-propanamide CAS Name: N-[4-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethylsulfamoyl]phenyl]-2-methylpropanamide IUPAC Name: N-[4-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]phenyl]-2-methylpropanamide Traditional Name: N-[4-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]phenyl]-2-methyl-propionamide Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

InChI

InChI=1S/C22H31N5O4S/c1-17(2)22(28)26-18-7-9-19(10-8-18)32(29,30)25-11-14-31-21-15-20(23-16-24-21)27-12-5-3-4-6-13-27/h7-10,15-17,25H,3-6,11-14H2,1-2H3,(H,26,28)