2-(4-methoxyphenyl)ethyl 4-(azepan-1-ylsulfonyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCOC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CCOC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

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