1-[2-(3-bromanylphenoxy)ethyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine

Systemtic Name: 1-[2-(3-bromanylphenoxy)ethyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine Openeye Name: 1-[2-(3-bromophenoxy)ethyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine CAS Name: 1-[2-(3-bromophenoxy)ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine IUPAC Name: 1-[2-(3-bromophenoxy)ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine Traditional Name: 1-[2-(3-bromophenoxy)ethyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine Formula: C20H25BrN2O5S MolecularWeight: 485.3919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C20H25BrN2O5S/c1-26-19-7-6-18(15-20(19)27-2)29(24,25)23-10-8-22(9-11-23)12-13-28-17-5-3-4-16(21)14-17/h3-7,14-15H,8-13H2,1-2H3