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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O4S/c1-2-7-21(28)26-18-8-10-19(11-9-18)32(29,30)25-12-15-31-22-16-20(23-17-24-22)27-13-5-3-4-6-14-27/h8-11,16-17,25H,2-7,12-15H2,1H3,(H,26,28)