3-(azepan-1-ylsulfonyl)-N-(2-ethylphenyl)-4-fluoranyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2-ethylphenyl)-4-fluoranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-ethylphenyl)-4-fluoro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(2-ethylphenyl)-4-fluorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-ethylphenyl)-4-fluorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2-ethylphenyl)-4-fluoro-benzamide Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25FN2O3S/c1-2-16-9-5-6-10-19(16)23-21(25)17-11-12-18(22)20(15-17)28(26,27)24-13-7-3-4-8-14-24/h5-6,9-12,15H,2-4,7-8,13-14H2,1H3,(H,23,25)