(3-fluorophenyl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (3-fluorophenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3-fluorophenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (3-fluorophenyl) ester IUPAC Name: (3-fluorophenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (3-fluorophenyl) ester Formula: C19H20FNO4S MolecularWeight: 377.429803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FNO4S/c20-16-6-5-7-17(14-16)25-19(22)15-8-10-18(11-9-15)26(23,24)21-12-3-1-2-4-13-21/h5-11,14H,1-4,12-13H2