1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromo-2-ethyl-phenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromo-2-ethylphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromo-2-ethylphenyl)sulfonylpiperazine Traditional Name: 1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-piperonyl-piperazine Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23BrN2O4S/c1-2-16-12-17(21)4-6-20(16)28(24,25)23-9-7-22(8-10-23)13-15-3-5-18-19(11-15)27-14-26-18/h3-6,11-12H,2,7-10,13-14H2,1H3