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

Systemtic Name: (2-methoxyphenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-methoxyphenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-methoxyphenyl) ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H23NO5S/c1-25-18-8-4-5-9-19(18)26-20(22)16-10-12-17(13-11-16)27(23,24)21-14-6-2-3-7-15-21/h4-5,8-13H,2-3,6-7,14-15H2,1H3