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

Systemtic Name: 1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-(4-propylphenyl)sulfonyl-piperazine Openeye Name: 1-[(5-bromo-2,4-dimethoxy-phenyl)methyl]-4-(4-propylphenyl)sulfonyl-piperazine CAS Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine IUPAC Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine Traditional Name: 1-(5-bromo-2,4-dimethoxy-benzyl)-4-(4-propylphenyl)sulfonyl-piperazine Formula: C22H29BrN2O4S MolecularWeight: 497.44566

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3OC)OC)Br

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3OC)OC)Br

InChI

InChI=1S/C22H29BrN2O4S/c1-4-5-17-6-8-19(9-7-17)30(26,27)25-12-10-24(11-13-25)16-18-14-20(23)22(29-3)15-21(18)28-2/h6-9,14-15H,4-5,10-13,16H2,1-3H3