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

Systemtic Name: N-[4-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]phenyl]propanamide Openeye Name: N-[4-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]phenyl]propanamide CAS Name: N-[4-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethylsulfamoyl]phenyl]propanamide IUPAC Name: N-[4-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]phenyl]propanamide Traditional Name: N-[4-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]phenyl]propionamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O4S/c1-2-20(27)25-17-7-9-18(10-8-17)31(28,29)24-11-14-30-21-15-19(22-16-23-21)26-12-5-3-4-6-13-26/h7-10,15-16,24H,2-6,11-14H2,1H3,(H,25,27)