N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-(diethylsulfamoyl)benzamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-(diethylsulfamoyl)benzamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-(diethylsulfamoyl)benzamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-4-(diethylsulfamoyl)benzamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-(diethylsulfamoyl)benzamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-(diethylsulfamoyl)benzamide Formula: C23H33N5O4S MolecularWeight: 475.60422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O4S/c1-3-28(4-2)33(30,31)20-11-9-19(10-12-20)23(29)24-13-16-32-22-17-21(25-18-26-22)27-14-7-5-6-8-15-27/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,24,29)