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SK4

Summary
Name:4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide
Formula:C18 H17 N3 O4 S
Formal charge:0
Formula weight:371.41 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide
OpenEye OEToolkits1.5.04-[(3-methoxyphenyl)amino]-6-methylsulfonyl-quinoline-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1ccc2ncc(c(c2c1)Nc3cccc(OC)c3)C(=O)N)C
SMILES_CANONICALCACTVS3.341COc1cccc(Nc2c(cnc3ccc(cc23)[S](C)(=O)=O)C(N)=O)c1
SMILESCACTVS3.341COc1cccc(Nc2c(cnc3ccc(cc23)[S](C)(=O)=O)C(N)=O)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1cccc(c1)Nc2c3cc(ccc3ncc2C(=O)N)S(=O)(=O)C
SMILESOpenEye OEToolkits1.5.0COc1cccc(c1)Nc2c3cc(ccc3ncc2C(=O)N)S(=O)(=O)C
InChIInChI1.03InChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)21-17-14-9-13(26(2,23)24)6-7-16(14)20-10-15(17)18(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21)
InChIKeyInChI1.03SEAXCOHUTXPNQE-UHFFFAOYSA-N

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PDB entries from 2024-07-17

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