3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-fluorophenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-fluorophenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-fluorophenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(3-fluorophenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-fluorophenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-fluorophenyl)propionamide Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O3S/c22-18-6-5-7-19(16-18)23-21(25)13-10-17-8-11-20(12-9-17)28(26,27)24-14-3-1-2-4-15-24/h5-9,11-12,16H,1-4,10,13-15H2,(H,23,25)