1-methyl-4-(phenylsulfonyl)piperazine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 1-methyl-4-(phenylsulfonyl)piperazine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-(benzenesulfonyl)-4-methyl-piperazine citrate CAS Name: 1-(benzenesulfonyl)-4-methylpiperazine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-(benzenesulfonyl)-4-methylpiperazine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-besyl-4-methyl-piperazine citrate Formula: C17H21N2O9S-3 MolecularWeight: 429.42164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C11H16N2O2S.C6H8O7/c1-12-7-9-13(10-8-12)16(14,15)11-5-3-2-4-6-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-6H,7-10H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3