[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C19H27N3O7S2 MolecularWeight: 473.56358

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C19H27N3O7S2/c1-28-12-7-20-17(23)14-30-16-6-4-3-5-15(16)19(25)29-13-18(24)21-8-10-22(11-9-21)31(2,26)27/h3-6H,7-14H2,1-2H3,(H,20,23)