ethyl 4-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]benzoate

Systemtic Name: ethyl 4-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]benzoate Openeye Name: ethyl 4-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]benzoate CAS Name: 4-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethylsulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]benzoate Traditional Name: 4-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethylsulfamoyl]benzoic acid ethyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O5S/c1-2-29-21(26)17-7-9-18(10-8-17)31(27,28)24-11-14-30-20-15-19(22-16-23-20)25-12-5-3-4-6-13-25/h7-10,15-16,24H,2-6,11-14H2,1H3