[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C18H18BrNO5S MolecularWeight: 440.30822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H18BrNO5S/c1-13-5-7-16(8-6-13)26(23,24)10-9-18(22)25-12-17(21)20-15-4-2-3-14(19)11-15/h2-8,11H,9-10,12H2,1H3,(H,20,21)