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5-ethyl-2-[(2-methylsulfonylphenyl)sulfonylamino]benzoic acid

5-ethyl-2-[(2-methylsulfonylphenyl)sulfonylamino]benzoic acid

Systemtic Name:5-ethyl-2-[(2-methylsulfonylphenyl)sulfonylamino]benzoic acid
Openeye Name:5-ethyl-2-[(2-methylsulfonylphenyl)sulfonylamino]benzoic acid
CAS Name:5-ethyl-2-[(2-methylsulfonylphenyl)sulfonylamino]benzoic acid
IUPAC Name:5-ethyl-2-[(2-methylsulfonylphenyl)sulfonylamino]benzoic acid
Traditional Name:5-ethyl-2-[(2-mesylphenyl)sulfonylamino]benzoic acid
Formula: C16H17NO6S2
MolecularWeight: 383.43928
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)C(=O)O


Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)C(=O)O


InChI

InChI=1S/C16H17NO6S2/c1-3-11-8-9-13(12(10-11)16(18)19)17-25(22,23)15-7-5-4-6-14(15)24(2,20)21/h4-10,17H,3H2,1-2H3,(H,18,19)


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