2-[2,4-bis(chloranyl)phenoxy]ethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]ethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: 2-(2,4-dichlorophenoxy)ethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid 2-(2,4-dichlorophenoxy)ethyl ester IUPAC Name: 2-(2,4-dichlorophenoxy)ethyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid 2-(2,4-dichlorophenoxy)ethyl ester Formula: C22H25Cl2NO6S MolecularWeight: 502.408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCCOC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCCOC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H25Cl2NO6S/c1-29-20-9-7-17(32(27,28)25-10-4-2-3-5-11-25)15-18(20)22(26)31-13-12-30-21-8-6-16(23)14-19(21)24/h6-9,14-15H,2-5,10-13H2,1H3