tert-butyl 4-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[(4-methylsulfonyl-1-piperazinyl)methyl]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[(4-mesylpiperazino)methyl]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H35N3O5S MolecularWeight: 453.5954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H35N3O5S/c1-22(2,3)30-21(26)24-11-9-20(10-12-24)29-19-7-5-18(6-8-19)17-23-13-15-25(16-14-23)31(4,27)28/h5-8,20H,9-17H2,1-4H3