(4-ethanoylphenyl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-ethanoylphenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-acetylphenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (4-acetylphenyl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H23NO5S/c1-16(23)17-6-10-19(11-7-17)27-21(24)18-8-12-20(13-9-18)28(25,26)22-14-4-2-3-5-15-22/h6-13H,2-5,14-15H2,1H3