ethyl 4-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfonyl-butyl-amino]benzoate

Systemtic Name: ethyl 4-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfonyl-butyl-amino]benzoate Openeye Name: ethyl 4-[butyl-(3,5-dichloro-2-hydroxy-phenyl)sulfonyl-amino]benzoate CAS Name: 4-[butyl-(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[butyl-(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]benzoate Traditional Name: 4-[butyl-(3,5-dichloro-2-hydroxy-phenyl)sulfonyl-amino]benzoic acid ethyl ester Formula: C19H21Cl2NO5S MolecularWeight: 446.34474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)C(=O)OCC)S(=O)(=O)C2=CC(=CC(=C2O)Cl)Cl

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)C(=O)OCC)S(=O)(=O)C2=CC(=CC(=C2O)Cl)Cl

InChI

InChI=1S/C19H21Cl2NO5S/c1-3-5-10-22(15-8-6-13(7-9-15)19(24)27-4-2)28(25,26)17-12-14(20)11-16(21)18(17)23/h6-9,11-12,23H,3-5,10H2,1-2H3