[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C16H21BrN2O5S2 MolecularWeight: 465.38234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H21BrN2O5S2/c1-12-9-13(17)3-4-14(12)25-11-16(21)24-10-15(20)18-5-7-19(8-6-18)26(2,22)23/h3-4,9H,5-8,10-11H2,1-2H3