3832354 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 44 45 46 47 48 49 50 51 52 53 54 55 56 57 16 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 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 1 1 1 1 1 1 1 2 3 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 15 16 17 17 18 19 20 20 21 21 22 22 23 23 24 24 25 25 26 26 27 28 28 29 30 30 31 31 32 32 33 33 34 4 5 8 28 16 18 9 10 13 11 12 14 15 43 11 35 36 12 37 38 39 40 41 42 15 16 20 21 18 17 19 22 19 23 24 44 25 45 26 46 27 47 29 48 29 49 27 50 51 30 31 52 32 53 33 54 34 55 34 56 57 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 2 1 2 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 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 6.3301 8.0622 8.0622 5.3301 7.3301 6.3301 4.5981 6.3301 6.3301 5.4641 5.4641 4.5981 7.1962 3.732 7.1962 8.0622 8.9282 8.0622 8.9282 3.732 2.866 9.8222 9.8222 2.866 2 10.7282 10.7282 6.3301 2 5.4641 7.1962 5.4641 7.1962 6.3301 6.9407 6.5422 5.0656 5.8626 5.8626 5.0656 3.9875 4.386 5.7932 4.269 2.866 9.815 9.815 2.866 1.4631 11.2639 11.2639 1.4631 4.9272 7.7331 4.9272 7.7331 6.3301 -1.5 2.5 -1.5 -1.5 -1.5 1.5 2.5 -0.5 2.5 1 3 1.5 1 3 -0 1.5 1 -0.5 -0 4 2.5 1.5347 -0.5347 4.5 3 1.0208 -0.0208 -2.5 4 -3 -3 -4 -4 -4.5 2.3923 3.0826 0.5251 0.5251 3.475 3.475 1.6077 0.9174 -0.19 4.31 1.88 2.1546 -1.1546 5.12 2.69 1.3329 -0.3329 4.31 -2.69 -2.69 -4.31 -4.31 -5.12 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 14 14 17 17 19 20 21 22 23 24 25 26 28 28 30 31 32 33 20 21 19 22 23 24 25 26 27 29 29 27 30 31 32 33 34 34 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 905 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B38004000000000000000000000000000000000003C60C1020000000000815000001E04104000000C0CC1D80430C1834000028802A4524070C200102502000888198864C8086032C095B1942108608000C8C9C71989808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[1,4-dioxo-3-(4-phenylpiperazin-1-yl)-2-naphthyl]benzenesulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[1,4-dioxo-3-(4-phenyl-1-piperazinyl)-2-naphthalenyl]benzenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]benzenesulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]benzenesulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[1,4-bis(oxidanylidene)-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]benzenesulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[1,4-diketo-3-(4-phenylpiperazino)-2-naphthyl]benzenesulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C26H23N3O4S/c30-25-21-13-7-8-14-22(21)26(31)24(23(25)27-34(32,33)20-11-5-2-6-12-20)29-17-15-28(16-18-29)19-9-3-1-4-10-19/h1-14,27H,15-18H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QNDLDSQIIFGPME-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 473.14092740 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C26H23N3O4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 473.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=CC=C5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=CC=C5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 95.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 473.14092740 34 0 0 0 0 0 0 0 1 -1