ethanedioic acid; 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxy-propan-2-ol

Systemtic Name: ethanedioic acid; 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxy-propan-2-ol Openeye Name: 1-benzyloxy-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol; oxalic acid CAS Name: 1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-3-phenylmethoxy-2-propanol; oxalic acid IUPAC Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol; oxalic acid Traditional Name: 1-benzoxy-3-[4-(4-fluorophenyl)sulfonylpiperazino]propan-2-ol; oxalic acid Formula: C22H27FN2O8S MolecularWeight: 498.521783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCC2=CC=CC=C2)O)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC(COCC2=CC=CC=C2)O)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25FN2O4S.C2H2O4/c21-18-6-8-20(9-7-18)28(25,26)23-12-10-22(11-13-23)14-19(24)16-27-15-17-4-2-1-3-5-17;3-1(4)2(5)6/h1-9,19,24H,10-16H2;(H,3,4)(H,5,6)