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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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