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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazino]-(4-pyrrolidinosulfonylphenyl)methanone Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C24H29N3O4S/c28-24(20-4-6-22(7-5-20)32(29,30)27-10-1-2-11-27)26-14-12-25(13-15-26)18-19-3-8-23-21(17-19)9-16-31-23/h3-8,17H,1-2,9-16,18H2