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

Systemtic Name: (1-methylcyclopropyl) 4-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carboxylate Openeye Name: (1-methylcyclopropyl) 4-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[(4-methylsulfonyl-1-piperazinyl)methyl]phenoxy]-1-piperidinecarboxylic acid (1-methylcyclopropyl) ester IUPAC Name: (1-methylcyclopropyl) 4-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[(4-mesylpiperazino)methyl]phenoxy]piperidine-1-carboxylic acid (1-methylcyclopropyl) ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)OC(=O)N2CCC(CC2)OC3=CC=C(C=C3)CN4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1(CC1)OC(=O)N2CCC(CC2)OC3=CC=C(C=C3)CN4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C22H33N3O5S/c1-22(9-10-22)30-21(26)24-11-7-20(8-12-24)29-19-5-3-18(4-6-19)17-23-13-15-25(16-14-23)31(2,27)28/h3-6,20H,7-17H2,1-2H3