45923777 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 8 7 7 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 1 1 1 1 1 1 1 1 1 4 4 5 6 6 7 7 7 8 9 9 10 10 10 11 11 12 12 13 13 14 14 16 17 17 17 18 18 19 19 20 20 21 22 23 24 24 24 2 3 6 9 20 24 15 10 25 8 15 33 23 11 12 15 26 27 13 28 14 29 16 30 16 31 32 18 19 23 21 34 22 35 21 22 36 37 38 39 40 41 2 2 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 8 -1 7 23 17 38 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 5.4641 6.4641 4.4641 2.866 5.4641 5.4641 3.732 3.732 5.4641 4.5981 6.3301 4.5981 6.3301 4.5981 4.5981 5.4641 2.866 3.732 2 2.866 3.732 2 2.866 2 6.001 4.386 3.9875 6.8671 4.0611 6.8671 4.0611 5.4641 3.1951 4.269 1.4631 4.269 1.4631 2.3291 1.69 1.4631 2.31 3 3 3 -5.5 0 2 0 -1 4 1.5 4.5 4.5 5.5 5.5 0.5 6 -2.5 -3 -3 -4.5 -4 -4 -1.5 -6 1.69 2.0826 1.3923 4.19 4.19 5.81 5.81 6.62 0.31 -2.69 -2.69 -4.31 -4.31 -1.19 -5.4631 -6.31 -6.5369 8 8 8 8 8 8 8 8 8 8 8 8 9 9 11 12 13 14 17 17 18 19 20 20 11 12 13 14 16 16 18 19 21 22 21 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 516 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B3800400000000000000000000000000000000000306000000000000000014000001E04184000000C04C1D806320780620402A802317310705208102020001A8898A608980C66A284311A80302024D81108A80780C0000E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(benzenesulfonamido)-N-[(E)-(4-methoxyphenyl)methyleneamino]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(benzenesulfonamido)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(benzenesulfonamido)-<I>N</I>-[(<I>E</I>)-(4-methoxyphenyl)methylideneamino]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(benzenesulfonamido)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(phenylsulfonylamino)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(benzenesulfonamido)-N-[(E)-p-anisylideneamino]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H17N3O4S/c1-23-14-9-7-13(8-10-14)11-17-19-16(20)12-18-24(21,22)15-5-3-2-4-6-15/h2-11,18H,12H2,1H3,(H,19,20)/b17-11+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VFLNYUCQVBEQCS-GZTJUZNOSA-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 2021.10.14 347.09397721 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H17N3O4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 347.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)C=NNC(=O)CNS(=O)(=O)C2=CC=CC=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)/C=N/NC(=O)CNS(=O)(=O)C2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 105 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 347.09397721 24 0 0 0 1 1 0 0 1 -1