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

Systemtic Name: 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine Openeye Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine CAS Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine IUPAC Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine Traditional Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C20H23BrN2O5S/c1-26-16-2-4-17(5-3-16)29(24,25)23-8-6-22(7-9-23)14-15-12-19-20(13-18(15)21)28-11-10-27-19/h2-5,12-13H,6-11,14H2,1H3