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A75

Summary
Name:2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
Formula:C17 H17 N O4 S
Formal charge:0
Formula weight:331.386 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-[(phenylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
OpenEye OEToolkits1.5.02-(phenylsulfonylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1ccccc1)Nc2ccc3c(c2C(=O)O)CCCC3
SMILES_CANONICALCACTVS3.341OC(=O)c1c2CCCCc2ccc1N[S](=O)(=O)c3ccccc3
SMILESCACTVS3.341OC(=O)c1c2CCCCc2ccc1N[S](=O)(=O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3
InChIInChI1.03InChI=1S/C17H17NO4S/c19-17(20)16-14-9-5-4-6-12(14)10-11-15(16)18-23(21,22)13-7-2-1-3-8-13/h1-3,7-8,10-11,18H,4-6,9H2,(H,19,20)
InChIKeyInChI1.03RRXVUYHFDBLTEL-UHFFFAOYSA-N

223532

건을2024-08-07부터공개중

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