2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-1-phenyl-ethanol; ethanedioic acid

Systemtic Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-1-phenyl-ethanol; ethanedioic acid Openeye Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-1-phenyl-ethanol; oxalic acid CAS Name: 2-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-1-phenylethanol; oxalic acid IUPAC Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol; oxalic acid Traditional Name: 2-[4-(3-bromophenyl)sulfonylpiperazino]-1-phenyl-ethanol; oxalic acid Formula: C20H23BrN2O7S MolecularWeight: 515.37482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O3S.C2H2O4/c19-16-7-4-8-17(13-16)25(23,24)21-11-9-20(10-12-21)14-18(22)15-5-2-1-3-6-15;3-1(4)2(5)6/h1-8,13,18,22H,9-12,14H2;(H,3,4)(H,5,6)