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

Systemtic Name: (4-propanoylphenyl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-propanoylphenyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (4-propionylphenyl) ester Formula: C22H25NO5S MolecularWeight: 415.5026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-2-21(24)17-10-12-19(13-11-17)28-22(25)18-8-7-9-20(16-18)29(26,27)23-14-5-3-4-6-15-23/h7-13,16H,2-6,14-15H2,1H3