(7-methoxy-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (7-methoxy-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (7-methoxybenzofuran-2-yl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (7-methoxy-2-benzofuranyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (7-methoxy-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (7-methoxybenzofuran-2-yl)-(4-tosylpiperazino)methanone Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-15-6-8-17(9-7-15)29(25,26)23-12-10-22(11-13-23)21(24)19-14-16-4-3-5-18(27-2)20(16)28-19/h3-9,14H,10-13H2,1-2H3