3-(azepan-1-ylsulfonyl)-N-(4,6-dimethylpyrimidin-2-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(4,6-dimethylpyrimidin-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(4,6-dimethylpyrimidin-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(4,6-dimethyl-2-pyrimidinyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(4,6-dimethylpyrimidin-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(4,6-dimethylpyrimidin-2-yl)benzamide Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C19H24N4O3S/c1-14-12-15(2)21-19(20-14)22-18(24)16-8-7-9-17(13-16)27(25,26)23-10-5-3-4-6-11-23/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,20,21,22,24)