[4-(2-bromanyl-4-methyl-phenyl)sulfonylpiperazin-1-yl]-(3,4-dimethoxyphenyl)methanone

Systemtic Name: [4-(2-bromanyl-4-methyl-phenyl)sulfonylpiperazin-1-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [4-(2-bromo-4-methyl-phenyl)sulfonylpiperazin-1-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [4-(2-bromo-4-methylphenyl)sulfonyl-1-piperazinyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [4-(2-bromo-4-methylphenyl)sulfonylpiperazin-1-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [4-(2-bromo-4-methyl-phenyl)sulfonylpiperazino]-(3,4-dimethoxyphenyl)methanone Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OC)Br

InChI

InChI=1S/C20H23BrN2O5S/c1-14-4-7-19(16(21)12-14)29(25,26)23-10-8-22(9-11-23)20(24)15-5-6-17(27-2)18(13-15)28-3/h4-7,12-13H,8-11H2,1-3H3