N-(2-bromanyl-4-methyl-phenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]acetamide Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C)Br

InChI

InChI=1S/C21H26BrN3O3S/c1-15-5-7-19(18(22)12-15)23-21(26)14-24-8-10-25(11-9-24)29(27,28)20-13-16(2)4-6-17(20)3/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)