N-cyclopropyl-4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]sulfonyl-benzenesulfonamide

Systemtic Name: N-cyclopropyl-4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]sulfonyl-benzenesulfonamide Openeye Name: N-cyclopropyl-4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]sulfonyl-benzenesulfonamide CAS Name: N-cyclopropyl-4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: N-cyclopropyl-4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-(coumaran-5-ylmethyl)piperazino]sulfonyl-N-cyclopropyl-benzenesulfonamide Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C22H27N3O5S2/c26-31(27,23-19-2-3-19)20-4-6-21(7-5-20)32(28,29)25-12-10-24(11-13-25)16-17-1-8-22-18(15-17)9-14-30-22/h1,4-8,15,19,23H,2-3,9-14,16H2