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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[3-(2-methyl-4-pyrimidinyl)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide Formula: C24H25ClN4O3S MolecularWeight: 484.9983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O3S/c1-17-26-12-11-22(27-17)18-7-6-8-20(15-18)28-24(30)19-9-10-21(25)23(16-19)33(31,32)29-13-4-2-3-5-14-29/h6-12,15-16H,2-5,13-14H2,1H3,(H,28,30)