1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromanyl-3-ethoxy-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromanyl-3-ethoxy-phenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromo-3-ethoxy-phenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromo-3-ethoxyphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromo-3-ethoxyphenyl)sulfonylpiperazine Traditional Name: 1-(4-bromo-3-ethoxy-phenyl)sulfonyl-4-piperonyl-piperazine Formula: C20H23BrN2O5S MolecularWeight: 483.37602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C20H23BrN2O5S/c1-2-26-19-12-16(4-5-17(19)21)29(24,25)23-9-7-22(8-10-23)13-15-3-6-18-20(11-15)28-14-27-18/h3-6,11-12H,2,7-10,13-14H2,1H3