ethyl 5-bromanyl-2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]benzoate

Systemtic Name: ethyl 5-bromanyl-2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]benzoate Openeye Name: ethyl 2-[allyl(p-tolylsulfonyl)amino]-5-bromo-benzoate CAS Name: 5-bromo-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid ethyl ester IUPAC Name: ethyl 5-bromo-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]benzoate Traditional Name: 2-[allyl(tosyl)amino]-5-bromo-benzoic acid ethyl ester Formula: C19H20BrNO4S MolecularWeight: 438.3354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)Br)N(CC=C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)Br)N(CC=C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H20BrNO4S/c1-4-12-21(26(23,24)16-9-6-14(3)7-10-16)18-11-8-15(20)13-17(18)19(22)25-5-2/h4,6-11,13H,1,5,12H2,2-3H3