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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-(dimethylsulfamoyl)benzamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-(dimethylsulfamoyl)benzamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-4-(dimethylsulfamoyl)benzamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-(dimethylsulfamoyl)benzamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-(dimethylsulfamoyl)benzamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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