(5-bromanyl-1-benzofuran-2-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-bromanyl-1-benzofuran-2-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-bromobenzofuran-2-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-bromo-2-benzofuranyl)-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-bromo-1-benzofuran-2-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-bromobenzofuran-2-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazino]methanone Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C21H21BrN2O4S/c1-14-3-4-15(2)20(11-14)29(26,27)24-9-7-23(8-10-24)21(25)19-13-16-12-17(22)5-6-18(16)28-19/h3-6,11-13H,7-10H2,1-2H3