[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-[4-fluoro-3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(benzothiophen-3-ylmethyl)piperazino]-(4-fluoro-3-pyrrolidinosulfonyl-phenyl)methanone Formula: C24H26FN3O3S2 MolecularWeight: 487.609943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CC4=CSC5=CC=CC=C54)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CC4=CSC5=CC=CC=C54)F

InChI

InChI=1S/C24H26FN3O3S2/c25-21-8-7-18(15-23(21)33(30,31)28-9-3-4-10-28)24(29)27-13-11-26(12-14-27)16-19-17-32-22-6-2-1-5-20(19)22/h1-2,5-8,15,17H,3-4,9-14,16H2