60482000 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 16 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 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 21 22 22 23 23 24 24 25 26 26 26 2 3 5 13 12 8 9 10 11 12 14 17 39 10 27 28 11 29 30 31 32 33 34 14 15 16 35 36 18 37 19 38 21 22 20 40 20 41 42 23 43 24 44 25 26 25 45 46 47 48 49 2 2 1 1 2 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 2 1 1 2 2 1 1 1 1 2 1 1 1 1 1 2 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 3 2 4 2.134 3 3 3.866 2.134 3.866 2.134 3.866 3 3 3.866 2.134 3.866 4.732 2.134 3.866 3 5.5981 4.732 6.4641 5.5981 6.4641 7.3301 1.5234 1.9219 4.0781 4.4766 1.9219 1.5234 4.4766 4.0781 4.0781 4.4766 1.597 4.403 3.3291 1.597 4.403 3 5.5981 4.1951 5.5981 7.001 7.0201 7.8671 7.6401 -2.25 -2.25 -2.25 2.25 -1.25 0.75 3.25 -0.75 -0.75 0.25 0.25 1.75 -3.25 2.25 -3.75 -3.75 3.75 -4.75 -4.75 -5.25 3.25 4.75 3.75 5.25 4.75 3.25 -0.6423 -1.3326 -1.3326 -0.6423 0.8326 0.1423 0.1423 0.8326 1.6674 2.3577 -3.44 -3.44 3.56 -5.06 -5.06 -5.87 2.63 5.06 5.87 5.06 2.7131 2.94 3.7869 8 8 8 8 8 8 8 8 8 8 8 8 13 13 15 16 17 17 18 19 21 22 23 24 15 16 18 19 21 22 20 20 23 24 25 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 561 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30004000000000000000000000000000000000003C6080000000000000014000001E04104000000C08C1D80432C183C00002880225525070C20010210200088898886488086022C091B1942008609600C8C8071080000E00000040000000000000008000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3-methylanilino)ethanone IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(3-methylanilino)ethanone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3-methylanilino)ethanone IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3-methylanilino)ethanone IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(3-methylphenyl)amino]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(4-besylpiperazino)-2-(m-toluidino)ethanone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H23N3O3S/c1-16-6-5-7-17(14-16)20-15-19(23)21-10-12-22(13-11-21)26(24,25)18-8-3-2-4-9-18/h2-9,14,20H,10-13,15H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZYABMWLIPHVEKZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.14601278 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H23N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=CC=C1)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=CC=C1)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 78.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.14601278 26 0 0 0 0 0 0 0 1 -1