3-(azepan-1-ylsulfonyl)-N-(4-bromophenyl)-4-fluoranyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(4-bromophenyl)-4-fluoranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(4-bromophenyl)-4-fluoro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(4-bromophenyl)-4-fluorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(4-bromophenyl)-4-fluorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(4-bromophenyl)-4-fluoro-benzamide Formula: C19H20BrFN2O3S MolecularWeight: 455.341103

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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)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrFN2O3S/c20-15-6-8-16(9-7-15)22-19(24)14-5-10-17(21)18(13-14)27(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,22,24)