[4-(phenylcarbonyl)phenyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [4-(phenylcarbonyl)phenyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-benzoylphenyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (4-benzoylphenyl) ester IUPAC Name: (4-benzoylphenyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (4-benzoylphenyl) ester Formula: C26H25NO5S MolecularWeight: 463.5454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H25NO5S/c28-25(20-9-4-3-5-10-20)21-13-15-23(16-14-21)32-26(29)22-11-8-12-24(19-22)33(30,31)27-17-6-1-2-7-18-27/h3-5,8-16,19H,1-2,6-7,17-18H2