3-(azepan-1-ylsulfonyl)-N-[3,4-bis(fluoranyl)phenyl]-4-fluoranyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[3,4-bis(fluoranyl)phenyl]-4-fluoranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(3,4-difluorophenyl)-4-fluoro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(3,4-difluorophenyl)-4-fluorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(3,4-difluorophenyl)-4-fluorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(3,4-difluorophenyl)-4-fluoro-benzamide Formula: C19H19F3N2O3S MolecularWeight: 412.42597

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)F)F

InChI

InChI=1S/C19H19F3N2O3S/c20-15-8-6-14(12-17(15)22)23-19(25)13-5-7-16(21)18(11-13)28(26,27)24-9-3-1-2-4-10-24/h5-8,11-12H,1-4,9-10H2,(H,23,25)