[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: (2S)-2-tert-butyl-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] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C25H33N3O5S/c1-25(2,3)17-9-10-21-19(15-17)23(18-7-5-6-8-20(18)26-21)24(30)33-16-22(29)27-11-13-28(14-12-27)34(4,31)32/h5-8,17H,9-16H2,1-4H3/t17-/m0/s1