801592 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 16 8 8 8 7 7 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 2 2 5 5 6 6 7 7 7 7 8 8 9 9 10 10 11 12 13 14 14 14 15 15 15 16 16 16 17 17 18 19 20 20 20 21 21 21 3 4 5 9 12 21 17 18 18 19 8 14 15 22 10 11 11 12 13 16 23 13 24 25 26 27 28 29 30 31 32 33 19 34 35 20 36 37 38 39 40 41 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 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 4.5981 2.866 5.5981 3.5981 4.5981 4.0981 6.3301 5.4641 4.5981 4.5981 5.4641 3.732 3.732 7.1962 6.3301 4.5981 5.4071 3.7891 5.0981 5.6859 2 6.8671 6.001 3.1951 7.5062 7.7331 6.8862 5.7101 6.3301 6.9501 3.9781 4.5981 5.2181 5.9967 3.1994 6.1874 6.0503 5.1843 1.69 1.4631 2.31 0.3261 -0.6739 0.3261 0.3261 1.3261 2.8649 -2.6739 -2.1739 -0.6739 -2.6739 -1.1739 -1.1739 -2.1739 -2.1739 -3.6739 -3.6739 1.9139 1.9139 2.8649 3.6739 -1.1739 -2.9839 -0.8639 -2.4839 -2.7109 -1.8639 -1.637 -3.6739 -4.2939 -3.6739 -3.6739 -4.2939 -3.6739 1.7223 1.7223 3.3095 4.1755 4.0384 -0.637 -1.4839 -1.7109 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 8 8 9 9 10 12 17 17 18 18 19 10 11 11 12 13 13 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 446 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371E073300040000000000000000000000000016000000030000000000000000001C000001E04004000000D0CC1DE063F9796081402A0033467647042883D3132A001D81A3E78888C6E22C4391A9430202CC01348A82780C0D00EB0000180001020006000030000204000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(5-isopropyl-2-methoxy-4-methyl-phenyl)sulfonyl-4-methyl-imidazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2-methoxy-4-methyl-5-propan-2-yl-phenyl)sulfonyl-4-methyl-imidazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(5-isopropyl-2-methoxy-4-methyl-phenyl)sulfonyl-4-methyl-imidazole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H20N2O3S/c1-10(2)13-7-15(14(20-5)6-11(13)3)21(18,19)17-8-12(4)16-9-17/h6-10H,1-5H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JPQGNDCQMPXOGF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 308.11946368 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H20N2O3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 308.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=C(C=C1C(C)C)S(=O)(=O)N2C=C(N=C2)C)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=C(C=C1C(C)C)S(=O)(=O)N2C=C(N=C2)C)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 69.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 308.11946368 21 0 0 0 0 0 0 0 1 -1