45I

2-[(2-PHENYLETHYL)SULFAMOYL]-4-SULFAMOYLBENZOIC ACID

Created:2015-03-10
Last modified:  2015-04-08

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count42
Aromatic Bond Count12
2D diagram of 45I

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Chemical Component Summary

Name2-[(2-PHENYLETHYL)SULFAMOYL]-4-SULFAMOYLBENZOIC ACID
Systematic Name (OpenEye OEToolkits)2-(2-phenylethylsulfamoyl)-4-sulfamoyl-benzoic acid
FormulaC15 H16 N2 O6 S2
Molecular Weight384.427
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(C(O)=O)c(c1)[S](=O)(=O)NCCc2ccccc2
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)CCNS(=O)(=O)c2cc(ccc2C(=O)O)S(=O)(=O)N
Canonical SMILESCACTVS3.385 N[S](=O)(=O)c1ccc(C(O)=O)c(c1)[S](=O)(=O)NCCc2ccccc2
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc(cc1)CCNS(=O)(=O)c2cc(ccc2C(=O)O)S(=O)(=O)N
InChIInChI1.03 InChI=1S/C15H16N2O6S2/c16-24(20,21)12-6-7-13(15(18)19)14(10-12)25(22,23)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,18,19)(H2,16,20,21)
InChIKeyInChI1.03 UPBRYTJLOYELEW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 91667428