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

Systemtic Name: [2,6-bis(bromanyl)-4-[butanoyl(phenylsulfonyl)amino]phenyl] butanoate Openeye Name: [4-[benzenesulfonyl(butanoyl)amino]-2,6-dibromo-phenyl] butanoate CAS Name: butanoic acid [4-[benzenesulfonyl(1-oxobutyl)amino]-2,6-dibromophenyl] ester IUPAC Name: [4-[benzenesulfonyl(butanoyl)amino]-2,6-dibromophenyl] butanoate Traditional Name: butyric acid [4-[besyl(butyryl)amino]-2,6-dibromo-phenyl] ester Formula: C20H21Br2NO5S MolecularWeight: 547.25744

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H21Br2NO5S/c1-3-8-18(24)23(29(26,27)15-10-6-5-7-11-15)14-12-16(21)20(17(22)13-14)28-19(25)9-4-2/h5-7,10-13H,3-4,8-9H2,1-2H3