2-(4-methoxyphenoxy)ethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: 2-(4-methoxyphenoxy)ethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: 2-(4-methoxyphenoxy)ethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid 2-(4-methoxyphenoxy)ethyl ester IUPAC Name: 2-(4-methoxyphenoxy)ethyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid 2-(4-methoxyphenoxy)ethyl ester Formula: C23H29NO7S MolecularWeight: 463.54386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO7S/c1-28-18-7-9-19(10-8-18)30-15-16-31-23(25)21-17-20(11-12-22(21)29-2)32(26,27)24-13-5-3-4-6-14-24/h7-12,17H,3-6,13-16H2,1-2H3