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

Systemtic Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-(2-fluoranylphenoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenoxy)propan-2-ol; oxalic acid CAS Name: 1-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-3-(2-fluorophenoxy)-2-propanol; oxalic acid IUPAC Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenoxy)propan-2-ol; oxalic acid Traditional Name: 1-[4-(3-bromophenyl)sulfonylpiperazino]-3-(2-fluorophenoxy)propan-2-ol; oxalic acid Formula: C21H24BrFN2O8S MolecularWeight: 563.391263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC=C2F)O)S(=O)(=O)C3=CC(=CC=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC=C2F)O)S(=O)(=O)C3=CC(=CC=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22BrFN2O4S.C2H2O4/c20-15-4-3-5-17(12-15)28(25,26)23-10-8-22(9-11-23)13-16(24)14-27-19-7-2-1-6-18(19)21;3-1(4)2(5)6/h1-7,12,16,24H,8-11,13-14H2;(H,3,4)(H,5,6)