[2-[[4-(4-bromophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[[4-(4-bromophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-[4-(4-bromophenyl)sulfanylanilino]-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-[4-[(4-bromophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-bromophenyl)sulfanylanilino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-[4-[(4-bromophenyl)thio]anilino]-2-keto-ethyl] ester Formula: C23H20BrNO5S2 MolecularWeight: 534.4426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H20BrNO5S2/c1-15-3-12-20(32(2,28)29)13-21(15)23(27)30-14-22(26)25-17-6-10-19(11-7-17)31-18-8-4-16(24)5-9-18/h3-13H,14H2,1-2H3,(H,25,26)