(4-ethanoylphenyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (4-ethanoylphenyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (4-acetylphenyl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (4-acetylphenyl) ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO5S/c1-15(24)16-6-9-18(10-7-16)28-21(25)17-8-11-19(22)20(14-17)29(26,27)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3