2-(4-methoxyphenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: 2-(4-methoxyphenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: 2-(4-methoxyphenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid 2-(4-methoxyphenoxy)ethyl ester IUPAC Name: 2-(4-methoxyphenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid 2-(4-methoxyphenoxy)ethyl ester Formula: C22H26ClNO6S MolecularWeight: 467.96294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCOC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)OCCOC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H26ClNO6S/c1-28-18-7-9-19(10-8-18)29-14-15-30-22(25)17-6-11-20(23)21(16-17)31(26,27)24-12-4-2-3-5-13-24/h6-11,16H,2-5,12-15H2,1H3