5-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)-2-fluoranyl-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)-2-fluoranyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)-2-fluoro-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)-2-fluoro-benzamide Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)F)C

InChI

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