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

Systemtic Name: (5-bromanyl-3-methyl-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-bromo-3-methyl-benzofuran-2-yl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (5-bromo-3-methyl-2-benzofuranyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-bromo-3-methyl-benzofuran-2-yl)-(4-tosylpiperazino)methanone Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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