tert-butyl 4-[3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]propyl]-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]propyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-hydroxy-4-[3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]propyl]piperidine-1-carboxylate CAS Name: 4-hydroxy-4-[3-[4-(4-methylsulfonylphenyl)-1-piperazinyl]propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-hydroxy-4-[3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]propyl]piperidine-1-carboxylate Traditional Name: 4-hydroxy-4-[3-[4-(4-mesylphenyl)piperazino]propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H39N3O5S MolecularWeight: 481.64856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CCCN2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CCCN2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C)O

InChI

InChI=1S/C24H39N3O5S/c1-23(2,3)32-22(28)27-14-11-24(29,12-15-27)10-5-13-25-16-18-26(19-17-25)20-6-8-21(9-7-20)33(4,30)31/h6-9,29H,5,10-19H2,1-4H3