[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C3=C(CCCC3)N=C2C=C1)C(=O)OCC(=O)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C3=C(CCCC3)N=C2C=C1)C(=O)OCC(=O)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O5S/c1-15-7-8-19-17(13-15)21(16-5-3-4-6-18(16)23-19)22(27)30-14-20(26)24-9-11-25(12-10-24)31(2,28)29/h7-8,13H,3-6,9-12,14H2,1-2H3