57617807 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 16 8 8 8 8 7 7 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 4 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 12 12 13 13 14 14 15 16 18 18 19 19 19 20 20 21 21 22 22 22 23 23 23 24 24 25 25 26 2 3 8 10 15 17 9 11 15 17 19 35 9 27 28 29 30 11 13 12 14 31 16 32 16 17 18 33 20 21 22 23 34 24 36 25 37 38 39 40 41 42 43 26 44 26 45 46 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 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 8.1301 8.6301 7.6301 7.2641 4.6038 8.1301 3.732 8.9961 8.9961 7.2641 7.2641 6.3701 6.3701 5.4641 8.1301 5.4641 4.6 8.9961 2.868 9.8622 8.9961 2 2.8718 10.7282 9.8622 10.7282 9.6067 9.2082 9.2082 9.6067 6.3773 6.3773 4.9283 2.8656 3.7296 9.8622 8.4592 2.3079 1.4619 1.6921 2.2518 2.8742 3.4918 11.2651 9.8622 11.2651 2.067 2.933 2.933 -1.433 -0.9572 0.067 0.5395 1.567 0.567 1.567 0.567 0.0323 2.1016 0.5462 -0.933 1.5878 0.0428 -1.433 0.0362 -0.933 -2.433 0.5328 -0.9638 -1.433 -2.933 -2.433 1.4593 2.1496 -0.0156 0.6746 -0.5876 2.7216 1.8999 0.6562 1.1595 -0.313 -2.743 1.071 0.8407 -0.0053 -0.9662 -1.5838 -0.9614 -1.123 -3.553 -2.743 8 8 8 8 8 8 8 8 8 8 8 8 10 10 11 12 13 14 18 18 20 21 24 25 11 13 12 14 16 16 20 21 24 25 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 634 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B38004000000000000000000000000000000000003C6080000000000000B14000001E04100000000C28C5D804B2C183C0000A880225525070C20000250A1008889D0864C8082032E09591842108609600E8C9871C88008E10000040000001002000008000000200000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-benzoyl-N-isopropyl-1,1-dioxo-2,3-dihydro-1lambda6,4-benzothiazine-6-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-benzoyl-1,1-dioxo-N-propan-2-yl-2,3-dihydro-1lambda6,4-benzothiazine-6-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-benzoyl-1,1-dioxo-<I>N</I>-propan-2-yl-2,3-dihydro-1&lambda;<SUP>6</SUP>,4-benzothiazine-6-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-benzoyl-1,1-dioxo-N-propan-2-yl-2,3-dihydro-1lambda6,4-benzothiazine-6-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1-bis(oxidanylidene)-4-(phenylcarbonyl)-N-propan-2-yl-2,3-dihydro-1lambda6,4-benzothiazine-6-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-benzoyl-N-isopropyl-1,1-diketo-2,3-dihydro-1lambda6,4-benzothiazine-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H20N2O4S/c1-13(2)20-18(22)15-8-9-17-16(12-15)21(10-11-26(17,24)25)19(23)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,20,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CIWDKYZMZQBKJA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 372.11437830 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H20N2O4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 372.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)NC(=O)C1=CC2=C(C=C1)S(=O)(=O)CCN2C(=O)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)NC(=O)C1=CC2=C(C=C1)S(=O)(=O)CCN2C(=O)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 91.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 372.11437830 26 0 0 0 0 0 0 0 1 -1