[2,6-bis(bromanyl)-4-[butanoyl-(4-methylphenyl)sulfonyl-amino]phenyl] butanoate

Systemtic Name: [2,6-bis(bromanyl)-4-[butanoyl-(4-methylphenyl)sulfonyl-amino]phenyl] butanoate Openeye Name: [2,6-dibromo-4-[butanoyl(p-tolylsulfonyl)amino]phenyl] butanoate CAS Name: butanoic acid [2,6-dibromo-4-[(4-methylphenyl)sulfonyl-(1-oxobutyl)amino]phenyl] ester IUPAC Name: [2,6-dibromo-4-[butanoyl-(4-methylphenyl)sulfonylamino]phenyl] butanoate Traditional Name: butyric acid [2,6-dibromo-4-[butyryl(tosyl)amino]phenyl] ester Formula: C21H23Br2NO5S MolecularWeight: 561.28402

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC(=C(C(=C1)Br)OC(=O)CCC)Br)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC(=O)N(C1=CC(=C(C(=C1)Br)OC(=O)CCC)Br)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H23Br2NO5S/c1-4-6-19(25)24(30(27,28)16-10-8-14(3)9-11-16)15-12-17(22)21(18(23)13-15)29-20(26)7-5-2/h8-13H,4-7H2,1-3H3