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

Systemtic Name: (4-fluorophenyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Openeye Name: (4-fluorophenyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]propanoic acid (4-fluorophenyl) ester IUPAC Name: (4-fluorophenyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]propionic acid (4-fluorophenyl) ester Formula: C21H24FNO4S MolecularWeight: 405.482963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OC3=CC=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FNO4S/c22-18-8-10-19(11-9-18)27-21(24)14-7-17-5-12-20(13-6-17)28(25,26)23-15-3-1-2-4-16-23/h5-6,8-13H,1-4,7,14-16H2