1-(4-chlorophenyl)sulfonyl-4-propan-2-yl-piperazine; ethanedioic acid

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-propan-2-yl-piperazine; ethanedioic acid Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-isopropyl-piperazine; oxalic acid CAS Name: 1-(4-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine; oxalic acid IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine; oxalic acid Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-isopropyl-piperazine; oxalic acid Formula: C15H21ClN2O6S MolecularWeight: 392.85504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19ClN2O2S.C2H2O4/c1-11(2)15-7-9-16(10-8-15)19(17,18)13-5-3-12(14)4-6-13;3-1(4)2(5)6/h3-6,11H,7-10H2,1-2H3;(H,3,4)(H,5,6)