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

Systemtic Name: [2-bromanyl-4-[butanoyl(phenylsulfonyl)amino]phenyl] butanoate Openeye Name: [4-[benzenesulfonyl(butanoyl)amino]-2-bromo-phenyl] butanoate CAS Name: butanoic acid [4-[benzenesulfonyl(1-oxobutyl)amino]-2-bromophenyl] ester IUPAC Name: [4-[benzenesulfonyl(butanoyl)amino]-2-bromophenyl] butanoate Traditional Name: butyric acid [4-[besyl(butyryl)amino]-2-bromo-phenyl] ester Formula: C20H22BrNO5S MolecularWeight: 468.36138

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO5S/c1-3-8-19(23)22(28(25,26)16-10-6-5-7-11-16)15-12-13-18(17(21)14-15)27-20(24)9-4-2/h5-7,10-14H,3-4,8-9H2,1-2H3