1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(phenylsulfonyl)piperazine

Systemtic Name: 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine CAS Name: 1-(benzenesulfonyl)-4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine IUPAC Name: 1-(benzenesulfonyl)-4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine Traditional Name: 1-besyl-4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine Formula: C19H21BrN2O4S MolecularWeight: 453.35004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2Br)OCCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2Br)OCCO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H21BrN2O4S/c20-17-13-19-18(25-10-11-26-19)12-15(17)14-21-6-8-22(9-7-21)27(23,24)16-4-2-1-3-5-16/h1-5,12-13H,6-11,14H2