(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: [4-fluoro-3-(1-piperidylsulfonyl)phenyl]-[4-(2-furylmethyl)piperazin-1-yl]methanone CAS Name: [4-fluoro-3-(1-piperidinylsulfonyl)phenyl]-[4-(2-furanylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-fluoro-3-piperidin-1-ylsulfonylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone Traditional Name: (4-fluoro-3-piperidinosulfonyl-phenyl)-[4-(2-furfuryl)piperazino]methanone Formula: C21H26FN3O4S MolecularWeight: 435.512243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CO4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CO4)F

InChI

InChI=1S/C21H26FN3O4S/c22-19-7-6-17(15-20(19)30(27,28)25-8-2-1-3-9-25)21(26)24-12-10-23(11-13-24)16-18-5-4-14-29-18/h4-7,14-15H,1-3,8-13,16H2