3743652 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 16 16 8 8 8 8 8 7 7 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 2 2 3 3 4 5 8 8 8 9 9 10 10 10 11 11 11 12 12 13 13 14 14 15 16 17 17 18 18 20 20 21 21 22 22 23 24 25 25 26 26 27 6 7 9 23 23 27 13 14 16 19 10 11 12 15 36 13 28 29 14 30 31 15 16 32 33 34 35 19 17 18 20 19 21 22 37 24 38 24 39 25 40 26 41 27 42 43 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 2 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 3.732 4.5411 2 5.4641 5.4641 2.732 4.732 3.732 3.732 2.866 3.732 4.5981 2 2.866 4.5981 5.4641 6.3301 6.3301 5.4641 7.2241 7.2241 8.1301 3.732 8.1301 2.923 3.232 4.232 2.4675 3.2646 4.3426 3.9441 1.3894 1.788 3.2646 2.4675 3.1951 7.2169 7.2169 8.6659 8.6659 2.3334 2.8676 4.5965 -0.9806 -2.5684 3.0194 3.0194 -0.9806 -0.9806 -0.9806 2.0194 0.0194 1.5194 3.0194 1.5194 2.0194 3.5194 0.5194 2.0194 1.5194 0.5194 0.0194 2.0541 -0.0152 1.5402 -1.9806 0.4986 -2.5684 -3.5194 -3.5194 1.0445 1.0445 2.9118 3.602 2.1271 1.4368 3.9944 3.9944 0.3294 2.674 -0.6352 1.8523 0.1865 -2.3768 -4.021 -4.021 8 8 8 8 8 8 8 8 8 8 8 2 2 17 17 18 20 21 22 23 25 26 23 27 18 20 21 22 24 24 25 26 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 752 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 00000371E07B38006000000000000000000000000001200000003C408000000000000081C000001E04104000000C0CE5D806B0018340040A8C02A45240704301902408104888198800C80A2032A09531872100208000B889C71989808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(3-morpholino-1,4-dioxo-2-naphthyl)thiophene-2-sulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-(4-morpholinyl)-1,4-dioxo-2-naphthalenyl]-2-thiophenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)thiophene-2-sulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-morpholin-4-yl-1,4-bis(oxidanylidene)naphthalen-2-yl]thiophene-2-sulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,4-diketo-3-morpholino-2-naphthyl)thiophene-2-sulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H16N2O5S2/c21-17-12-4-1-2-5-13(12)18(22)16(20-7-9-25-10-8-20)15(17)19-27(23,24)14-6-3-11-26-14/h1-6,11,19H,7-10H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CAMFMVUGBOSMDX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 404.05006396 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H16N2O5S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 404.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1COCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=CS4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1COCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=CS4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 129 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 404.05006396 27 0 0 0 0 0 0 0 1 -1