654092 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 16 16 8 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 7 7 8 8 9 9 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 20 20 21 21 22 22 23 23 23 24 24 25 25 26 26 27 28 30 30 31 31 32 33 3 4 8 21 5 6 9 22 10 60 11 12 13 14 29 15 34 35 16 36 37 17 38 39 18 40 41 19 42 43 19 44 45 20 46 47 20 48 49 50 51 52 53 27 30 28 31 24 25 32 26 33 27 29 28 29 54 55 32 56 33 57 58 59 2 2 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 4.932 11.9414 4.7203 5.1437 12.1531 11.7297 9.3027 3.9547 12.9188 8.4367 3.6493 3.2827 13.5907 13.2241 2.672 2.3053 14.5681 14.2014 2 14.8734 5.9094 10.9641 7.9367 8.9367 7.6277 9.2457 6.6123 10.2611 8.4367 6.2312 10.6422 7.2518 9.6217 4.2636 3.6734 3.0482 3.8072 13.0662 13.8252 13.2001 12.6098 2.9065 2.1475 1.691 2.2813 14.5921 15.1824 14.726 13.967 1.6202 1.4514 15.422 15.2533 6.4275 10.4459 5.8182 11.0553 7.4501 9.4233 9.3027 -0.8108 -0.8108 -1.7881 0.1666 -1.7881 0.1666 1.6018 -0.5991 -0.5991 1.1018 0.3532 -1.3396 -1.3396 0.3532 0.5648 -1.128 -1.128 0.5648 -0.1757 -0.1757 -1.0224 -1.0224 -1.437 -1.437 -0.486 -0.486 -0.2537 -0.2537 0.1018 -2.0131 -2.0131 -2.2218 -2.2218 0.4371 0.9727 -1.9136 -1.6702 -1.6702 -1.9136 0.9727 0.4371 1.1388 0.8954 -1.2119 -1.7475 -1.7475 -1.2119 0.8954 1.1388 0.3143 -0.4647 -0.4647 0.3143 0.3381 0.3381 -2.4754 -2.4754 -2.8092 -2.8092 2.2218 8 8 8 8 8 8 8 8 8 8 8 8 21 21 22 22 23 23 24 24 25 26 30 31 27 30 28 31 25 32 26 33 27 28 32 33 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 870 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B38006000000000000000000000000001800000003C7881000000000060014000001C04044800000C08C15804300182100002A003206200704200102000000888182800980820A28091108420002080008888071080C00E90000080001000002000010000200001000008000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,7-bis(1-piperidylsulfonyl)fluoren-9-one oxime IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,7-bis(1-piperidinylsulfonyl)-9-fluorenone oxime IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,7-bis(piperidinosulfonyl)fluoren-9-one oxime InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H27N3O5S2/c27-24-23-21-15-17(32(28,29)25-11-3-1-4-12-25)7-9-19(21)20-10-8-18(16-22(20)23)33(30,31)26-13-5-2-6-14-26/h7-10,15-16,27H,1-6,11-14H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XYZXEEIUKQGUHB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 489.13921332 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H27N3O5S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 489.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)S(=O)(=O)N5CCCCC5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)S(=O)(=O)N5CCCCC5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 124 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 489.13921332 33 0 0 0 0 0 0 0 1 -1