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(2-ethoxyphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate

(2-ethoxyphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name:(2-ethoxyphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate
Openeye Name:(2-ethoxyphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate
CAS Name:3-(1-azepanylsulfonyl)benzoic acid (2-ethoxyphenyl)methyl ester
IUPAC Name:(2-ethoxyphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate
Traditional Name:3-(azepan-1-ylsulfonyl)benzoic acid (2-ethoxybenzyl) ester
Formula: C22H27NO5S
MolecularWeight: 417.51848
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3


Isomeric SMILES

CCOC1=CC=CC=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3


InChI

InChI=1S/C22H27NO5S/c1-2-27-21-13-6-5-10-19(21)17-28-22(24)18-11-9-12-20(16-18)29(25,26)23-14-7-3-4-8-15-23/h5-6,9-13,16H,2-4,7-8,14-15,17H2,1H3


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