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

Systemtic Name: (2-fluorophenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-fluorophenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2-fluorophenyl) ester IUPAC Name: (2-fluorophenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-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=C3F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3F

InChI

InChI=1S/C19H20FNO4S/c20-17-7-3-4-8-18(17)25-19(22)15-9-11-16(12-10-15)26(23,24)21-13-5-1-2-6-14-21/h3-4,7-12H,1-2,5-6,13-14H2