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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-2-fluoranyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-2-fluoro-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(4-ethylphenyl)-2-fluorobenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-2-fluorobenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-2-fluoro-benzamide Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)F

InChI

InChI=1S/C21H25FN2O3S/c1-2-16-7-9-17(10-8-16)23-21(25)19-15-18(11-12-20(19)22)28(26,27)24-13-5-3-4-6-14-24/h7-12,15H,2-6,13-14H2,1H3,(H,23,25)