1-[3-[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-[(2R)-2,3-dihydrobenzofuran-2-carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[[(2R)-2,3-dihydrobenzofuran-2-yl]-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-[(2R)-coumaran-2-carbonyl]piperazino]sulfonylphenyl]ethanone Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-15(24)16-6-4-7-18(13-16)29(26,27)23-11-9-22(10-12-23)21(25)20-14-17-5-2-3-8-19(17)28-20/h2-8,13,20H,9-12,14H2,1H3/t20-/m1/s1