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0O7

Summary
Name:8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide
Formula:C18 H17 N3 O2 S
Formal charge:0
Formula weight:339.411 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.018-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide
OpenEye OEToolkits1.7.68-(4-ethylphenyl)-5-methyl-2H-pyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S2(=O)c1cnnc1c4c(N2C)ccc(c3ccc(cc3)CC)c4
InChIInChI1.03InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyInChI1.03ISXAVIPPPMJTPN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CCc1ccc(cc1)c2ccc3N(C)[S](=O)(=O)c4c[nH]nc4c3c2
SMILESCACTVS3.370CCc1ccc(cc1)c2ccc3N(C)[S](=O)(=O)c4c[nH]nc4c3c2
SMILES_CANONICALOpenEye OEToolkits1.7.6CCc1ccc(cc1)c2ccc3c(c2)-c4c(c[nH]n4)S(=O)(=O)N3C
SMILESOpenEye OEToolkits1.7.6CCc1ccc(cc1)c2ccc3c(c2)-c4c(c[nH]n4)S(=O)(=O)N3C

218853

PDB entries from 2024-04-24

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