3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-bromanyl-2-fluoranyl-phenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-bromanyl-2-fluoranyl-phenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-bromo-2-fluoro-phenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(4-bromo-2-fluorophenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-bromo-2-fluorophenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-bromo-2-fluoro-phenyl)propionamide Formula: C21H24BrFN2O3S MolecularWeight: 483.394263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrFN2O3S/c22-17-8-11-20(19(23)15-17)24-21(26)12-7-16-5-9-18(10-6-16)29(27,28)25-13-3-1-2-4-14-25/h5-6,8-11,15H,1-4,7,12-14H2,(H,24,26)