3-(azepan-1-ylsulfonyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[3-(2-methyl-4-pyrimidinyl)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H26N4O3S/c1-18-25-13-12-23(26-18)19-8-6-10-21(16-19)27-24(29)20-9-7-11-22(17-20)32(30,31)28-14-4-2-3-5-15-28/h6-13,16-17H,2-5,14-15H2,1H3,(H,27,29)