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

Systemtic Name: [2-bromanyl-4-[butanoyl-(4-methylphenyl)sulfonyl-amino]phenyl] butanoate Openeye Name: [2-bromo-4-[butanoyl(p-tolylsulfonyl)amino]phenyl] butanoate CAS Name: butanoic acid [2-bromo-4-[(4-methylphenyl)sulfonyl-(1-oxobutyl)amino]phenyl] ester IUPAC Name: [2-bromo-4-[butanoyl-(4-methylphenyl)sulfonylamino]phenyl] butanoate Traditional Name: butyric acid [2-bromo-4-[butyryl(tosyl)amino]phenyl] ester Formula: C21H24BrNO5S MolecularWeight: 482.38796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO5S/c1-4-6-20(24)23(29(26,27)17-11-8-15(3)9-12-17)16-10-13-19(18(22)14-16)28-21(25)7-5-2/h8-14H,4-7H2,1-3H3