tert-butyl 4-[2-[4-(4-methylsulfonylphenyl)-3-oxidanylidene-piperazin-1-yl]ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-(4-methylsulfonylphenyl)-3-oxidanylidene-piperazin-1-yl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-(4-methylsulfonylphenyl)-3-oxo-piperazin-1-yl]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-(4-methylsulfonylphenyl)-3-oxo-1-piperazinyl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-(4-methylsulfonylphenyl)-3-oxopiperazin-1-yl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[3-keto-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)CCN2CCN(C(=O)C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCN(C(=O)C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

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