ethyl 4-[4-bromanylbutyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: ethyl 4-[4-bromanylbutyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: ethyl 4-[4-bromobutyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[4-bromobutyl-(4-methylphenyl)sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-bromobutyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[4-bromobutyl(tosyl)amino]benzoic acid ethyl ester Formula: C20H24BrNO4S MolecularWeight: 454.37786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CCCCBr)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CCCCBr)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H24BrNO4S/c1-3-26-20(23)17-8-10-18(11-9-17)22(15-5-4-14-21)27(24,25)19-12-6-16(2)7-13-19/h6-13H,3-5,14-15H2,1-2H3