[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-[3-(phenylsulfonylmethyl)phenyl]methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-[3-(phenylsulfonylmethyl)phenyl]methanone Openeye Name: [3-(benzenesulfonylmethyl)phenyl]-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]methanone CAS Name: [3-(benzenesulfonylmethyl)phenyl]-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [3-(benzenesulfonylmethyl)phenyl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone Traditional Name: [3-(besylmethyl)phenyl]-[4-(coumaran-5-ylmethyl)piperazino]methanone Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC(=CC=C4)CS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC(=CC=C4)CS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H28N2O4S/c30-27(24-6-4-5-22(18-24)20-34(31,32)25-7-2-1-3-8-25)29-14-12-28(13-15-29)19-21-9-10-26-23(17-21)11-16-33-26/h1-10,17-18H,11-16,19-20H2