71329 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 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 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 3 3 8 8 8 9 9 10 10 11 11 11 12 12 12 13 13 13 14 14 15 15 16 16 16 17 17 18 18 19 19 20 21 22 22 23 23 24 24 25 25 26 27 28 28 28 29 29 29 4 5 9 28 6 7 10 29 15 22 11 13 16 19 45 23 50 12 30 31 14 32 33 15 34 35 17 18 36 37 38 39 40 20 41 21 42 20 21 43 44 24 25 26 27 26 46 27 47 48 49 51 52 53 54 55 56 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 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 7.1962 2.866 3.732 6.6962 7.6962 3.366 2.366 5.4641 6.3301 3.732 5.4641 6.3301 4.5981 6.3301 4.5981 6.3301 7.1962 5.4641 6.3301 7.1962 5.4641 3.732 3.732 2.866 4.5981 2.866 4.5981 8.0622 2 5.252 4.8535 6.5422 6.9407 4.386 3.9875 4.8101 5.2087 6.0201 6.8671 6.6401 7.7331 4.9272 7.7331 4.9272 5.7932 2.3291 5.135 2.3291 5.135 4.269 8.3722 8.5991 7.7522 1.69 1.4631 2.31 6.25 -6.25 -1.75 7.116 5.384 -7.116 -5.384 0.25 5.75 -5.75 1.25 1.75 -0.25 2.75 -1.25 -0.25 3.25 3.25 4.75 4.25 4.25 -2.75 -4.75 -3.25 -3.25 -4.25 -4.25 6.75 -6.75 1.8326 1.1423 1.1674 1.8577 0.3326 -0.3577 -1.8326 -1.1423 -0.7869 -0.56 0.2869 2.94 2.94 4.56 4.56 6.06 -2.94 -2.94 -4.56 -4.56 -6.06 6.2131 7.06 7.2869 -6.2131 -7.06 -7.2869 8 8 8 8 8 8 8 8 8 8 8 8 14 14 17 18 19 19 22 22 23 23 24 25 17 18 20 21 20 21 24 25 26 27 26 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 672 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B3800600000000000000000000000000000000000306000000000000000014000001E04104000000C0CE19806B2C6834004028002244240708208002022000888000E6C880E262284B19B873820E4D01198E807B0C0800E08400000000000001080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methyl-amino]ethyl]phenyl]methanesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[2-[methyl-[2-[4-(methylsulfonylamino)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methyl-amino]ethyl]phenyl]methanesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IXTMWRCNAAVVAI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 441.13921332 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H27N3O5S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 441.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 122 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 441.13921332 29 0 0 0 0 0 0 0 1 -1