[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [(2R)-2,3-dihydrobenzofuran-2-yl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [(2R)-2,3-dihydrobenzofuran-2-yl]-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [(2R)-coumaran-2-yl]-(4-tosylpiperazino)methanone Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H]3CC4=CC=CC=C4O3

InChI

InChI=1S/C20H22N2O4S/c1-15-6-8-17(9-7-15)27(24,25)22-12-10-21(11-13-22)20(23)19-14-16-4-2-3-5-18(16)26-19/h2-9,19H,10-14H2,1H3/t19-/m1/s1