4-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[2-[2-(4-methylsulfonyl-1-piperazinyl)ethoxy]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-[2-(4-mesylpiperazino)ethoxy]phenyl]piperazine-1-carboxylic acid Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CCOC2=CC=CC=C2N3CCN(CC3)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CCOC2=CC=CC=C2N3CCN(CC3)C(=O)O

InChI

InChI=1S/C18H28N4O5S/c1-28(25,26)22-12-6-19(7-13-22)14-15-27-17-5-3-2-4-16(17)20-8-10-21(11-9-20)18(23)24/h2-5H,6-15H2,1H3,(H,23,24)