4-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-yl]phenol

Systemtic Name: 4-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-yl]phenol Openeye Name: 4-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-yl]phenol CAS Name: 4-[4-[2-(4-bromophenyl)sulfonylethyl]-1-piperazinyl]phenol IUPAC Name: 4-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-yl]phenol Traditional Name: 4-[4-(2-brosylethyl)piperazino]phenol Formula: C18H21BrN2O3S MolecularWeight: 425.33994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)O

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)O

InChI

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