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

Systemtic Name: 3-ethoxy-2-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-piperazine-1-carboxylic acid Openeye Name: 3-ethoxy-2-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-piperazine-1-carboxylic acid CAS Name: 3-ethoxy-2-(4-methylsulfonyl-1-piperazinyl)-2-phenyl-1-piperazinecarboxylic acid IUPAC Name: 3-ethoxy-2-(4-methylsulfonylpiperazin-1-yl)-2-phenylpiperazine-1-carboxylic acid Traditional Name: 3-ethoxy-2-(4-mesylpiperazino)-2-phenyl-piperazine-1-carboxylic acid Formula: C18H28N4O5S MolecularWeight: 412.50372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(N(CCN1)C(=O)O)(C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC1C(N(CCN1)C(=O)O)(C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H28N4O5S/c1-3-27-16-18(15-7-5-4-6-8-15,22(17(23)24)10-9-19-16)20-11-13-21(14-12-20)28(2,25)26/h4-8,16,19H,3,9-14H2,1-2H3,(H,23,24)