(5-bromanyl-3-methyl-1-benzofuran-2-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-bromanyl-3-methyl-1-benzofuran-2-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-bromo-3-methyl-benzofuran-2-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-bromo-3-methyl-2-benzofuranyl)-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-bromo-3-methyl-benzofuran-2-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C22H23BrN2O4S MolecularWeight: 491.39802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O4S/c1-14-4-6-18(12-15(14)2)30(27,28)25-10-8-24(9-11-25)22(26)21-16(3)19-13-17(23)5-7-20(19)29-21/h4-7,12-13H,8-11H2,1-3H3