2-(4-methylphenoxy)ethyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 2-(4-methylphenoxy)ethyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-(4-methylphenoxy)ethyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid 2-(4-methylphenoxy)ethyl ester IUPAC Name: 2-(4-methylphenoxy)ethyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid 2-(4-methylphenoxy)ethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCOC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)OCCOC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27NO5S/c1-18-9-11-20(12-10-18)27-15-16-28-22(24)19-7-6-8-21(17-19)29(25,26)23-13-4-2-3-5-14-23/h6-12,17H,2-5,13-16H2,1H3