1-[2-(4-bromophenyl)sulfonylethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine

Systemtic Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine Openeye Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine CAS Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine IUPAC Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine Traditional Name: 1-(2-brosylethyl)-4-veratryl-piperazine Formula: C21H27BrN2O4S MolecularWeight: 483.41908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CCS(=O)(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CCS(=O)(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C21H27BrN2O4S/c1-27-20-8-3-17(15-21(20)28-2)16-24-11-9-23(10-12-24)13-14-29(25,26)19-6-4-18(22)5-7-19/h3-8,15H,9-14,16H2,1-2H3