23721307 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 17 16 11 9 8 8 8 8 7 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 3 1 6 -1 1 2 2 2 2 3 4 5 5 6 9 10 10 10 11 11 11 12 12 13 13 14 14 15 16 18 18 19 20 21 21 22 22 23 23 25 25 25 20 7 8 9 16 6 24 15 25 17 17 12 13 14 17 20 21 16 26 15 27 18 28 19 29 19 30 31 22 23 32 24 33 24 34 35 36 37 1 2 2 1 1 7 1 1 1 1 2 1 2 1 1 2 1 2 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 9 -1 2 17 11 6 2 1 12 10 26 16 29 2 2 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 2 4.5981 2.866 3.732 7.1962 2.866 5.5981 3.5981 4.5981 5.4641 3.732 5.4641 6.3301 4.5981 6.3301 4.5981 3.732 4.5981 5.4641 2.866 4.5981 2.866 4.5981 3.732 7.1962 6.001 6.8671 4.0611 4.0611 4.0611 5.4641 5.135 2.3291 5.135 7.8162 7.1962 6.5762 -2.5 0 0 -5.5 4.5 -1 0 0 -1 2.5 -2.5 1.5 3 3 4 1 -1.5 4 4.5 -3 -3 -4 -4 -4.5 5.5 1.19 2.69 2.69 1.31 4.31 5.12 -2.69 -4.31 -4.31 5.5 6.12 5.5 8 8 8 8 8 8 8 8 8 8 8 8 10 10 11 11 13 14 15 18 20 21 22 23 13 14 20 21 15 18 19 19 22 23 24 24 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 581 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 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 00000371C07A3920440000000000000000000000000000000000306000000000000000014000001F06004000000C0685D82AB20680000402A00220620070020800202500088800260A980C26A285331A80302024C01108A80780C0300E00000100000100000000020000020000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;(1Z)-2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)vinyl]sulfonyl-benzenecarboximidate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;(1Z)-2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzenecarboximidate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;(1<I>Z</I>)-2-chloro-4-fluoro-<I>N</I>-[(<I>E</I>)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzenecarboximidate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;(1Z)-2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzenecarboximidate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;(1Z)-2-chloranyl-4-fluoranyl-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonyl-benzenecarboximidate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;(1Z)-2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)vinyl]sulfonyl-benzenecarboximidate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H13ClFNO4S.Na/c1-23-13-4-2-3-11(9-13)7-8-24(21,22)19-16(20)14-6-5-12(18)10-15(14)17;/h2-10H,1H3,(H,19,20);/q;+1/p-1/b8-7+; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UDKZUSFFGCHLCB-USRGLUTNSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 391.0057292 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H12ClFNNaO4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 391.8 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC(=C1)C=CS(=O)(=O)N=C(C2=C(C=C(C=C2)F)Cl)[O-].[Na+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC(=C1)/C=C/S(=O)(=O)/N=C(/C2=C(C=C(C=C2)F)Cl)\[O-].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 87.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 391.0057292 25 0 0 0 2 2 0 0 2 -1