tert-butyl 4-[2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]-2-oxo-ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-(4-methylsulfonylphenyl)-1-piperazinyl]-2-oxoethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxylate Traditional Name: 4-[2-keto-2-[4-(4-mesylphenyl)piperazino]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H35N3O5S/c1-23(2,3)31-22(28)26-11-9-18(10-12-26)17-21(27)25-15-13-24(14-16-25)19-5-7-20(8-6-19)32(4,29)30/h5-8,18H,9-17H2,1-4H3