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

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]ethyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-(2,4-dichlorophenoxy)ethyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid 2-(2,4-dichlorophenoxy)ethyl ester IUPAC Name: 2-(2,4-dichlorophenoxy)ethyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid 2-(2,4-dichlorophenoxy)ethyl ester Formula: C21H23Cl2NO5S MolecularWeight: 472.38202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCOC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCOC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H23Cl2NO5S/c22-17-7-10-20(19(23)15-17)28-13-14-29-21(25)16-5-8-18(9-6-16)30(26,27)24-11-3-1-2-4-12-24/h5-10,15H,1-4,11-14H2