51198494 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 16 8 8 8 8 7 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 2 2 5 6 6 6 7 7 8 8 9 9 10 11 11 12 13 13 13 14 14 14 16 16 16 17 18 18 19 19 20 20 21 22 22 22 23 23 23 3 4 7 16 17 22 15 8 15 27 10 11 9 10 12 13 24 12 25 26 28 29 30 15 17 18 31 32 33 19 20 34 21 35 21 36 37 23 38 39 40 41 42 2 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 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 2.866 5.4641 3.366 2.366 2.866 4.5981 3.732 4.5981 5.4641 3.732 4.5981 5.4641 6.3301 3.732 3.732 2 4.5981 2.866 4.5981 2.866 3.732 6.3301 7.1962 3.1951 4.5981 6.001 5.135 6.6401 6.8671 6.0201 1.69 1.4631 2.31 2.3291 5.135 2.3291 3.732 6.7287 5.9316 6.8862 7.7331 7.5062 -2.817 1.683 -3.683 -1.951 0.183 0.183 -2.317 -0.817 -1.317 -1.317 -2.817 -2.317 -0.817 1.683 0.683 -3.317 2.183 2.183 3.183 3.183 3.683 2.183 1.683 -1.007 -3.437 -2.627 0.493 -1.3539 -0.507 -0.2801 -2.78 -3.627 -3.8539 1.873 3.493 3.493 4.303 2.658 2.658 1.1461 1.373 2.22 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 9 11 14 14 17 18 19 20 10 11 9 10 12 12 17 18 19 20 21 21 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 499 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 00000371E07A3800400000000000000000000000000000000000306000000000000000014000001E04100000000C0CA1D802B2C782C0040A880225525070C20800252A10088819066CC80C2636E4B59B86396CE6F411C8E98798C8208E10000000200A00002000000040140000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N-(2-methyl-5-methylsulfonyl-phenyl)benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N-(2-methyl-5-methylsulfonylphenyl)benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-<I>N</I>-(2-methyl-5-methylsulfonylphenyl)benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N-(2-methyl-5-methylsulfonylphenyl)benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N-(2-methyl-5-methylsulfonyl-phenyl)benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N-(5-mesyl-2-methyl-phenyl)benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H19NO4S/c1-4-22-16-8-6-5-7-14(16)17(19)18-15-11-13(23(3,20)21)10-9-12(15)2/h5-11H,4H2,1-3H3,(H,18,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DPINBJCTWOAMQZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 333.10347926 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H19NO4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 333.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 80.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 333.10347926 23 0 0 0 0 0 0 0 1 -1