1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine

Systemtic Name: 1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine Openeye Name: 1-[(5-bromo-2,4-dimethoxy-phenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine CAS Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine IUPAC Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine Traditional Name: 1-(5-bromo-2,4-dimethoxy-benzyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine Formula: C21H27BrN2O6S MolecularWeight: 515.41788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3OC)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3OC)OC)Br)OC

InChI

InChI=1S/C21H27BrN2O6S/c1-27-18-6-5-16(12-21(18)30-4)31(25,26)24-9-7-23(8-10-24)14-15-11-17(22)20(29-3)13-19(15)28-2/h5-6,11-13H,7-10,14H2,1-4H3