[4-(2-phenylsulfanylethyl)piperazin-1-yl]-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone

Systemtic Name: [4-(2-phenylsulfanylethyl)piperazin-1-yl]-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone Openeye Name: [4-(2-phenylsulfanylethyl)piperazin-1-yl]-(5-pyrrolidin-1-ylsulfonyl-2-furyl)methanone CAS Name: [4-[2-(phenylthio)ethyl]-1-piperazinyl]-[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methanone IUPAC Name: [4-(2-phenylsulfanylethyl)piperazin-1-yl]-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone Traditional Name: [4-[2-(phenylthio)ethyl]piperazino]-(5-pyrrolidinosulfonyl-2-furyl)methanone Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)C(=O)N3CCN(CC3)CCSC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)C(=O)N3CCN(CC3)CCSC4=CC=CC=C4

InChI

InChI=1S/C21H27N3O4S2/c25-21(19-8-9-20(28-19)30(26,27)24-10-4-5-11-24)23-14-12-22(13-15-23)16-17-29-18-6-2-1-3-7-18/h1-3,6-9H,4-5,10-17H2