6-[(4-methylsulfonylphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid

Systemtic Name: 6-[(4-methylsulfonylphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid Openeye Name: 6-[(4-methylsulfonylphenyl)sulfonylamino]-2-[3-(3-pyridyl)propyl]hexanoic acid CAS Name: 6-[(4-methylsulfonylphenyl)sulfonylamino]-2-[3-(3-pyridinyl)propyl]hexanoic acid IUPAC Name: 6-[(4-methylsulfonylphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid Traditional Name: 6-[(4-mesylphenyl)sulfonylamino]-2-[3-(3-pyridyl)propyl]hexanoic acid Formula: C21H28N2O6S2 MolecularWeight: 468.58682

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCCCC(CCCC2=CN=CC=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCCCC(CCCC2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C21H28N2O6S2/c1-30(26,27)19-10-12-20(13-11-19)31(28,29)23-15-3-2-8-18(21(24)25)9-4-6-17-7-5-14-22-16-17/h5,7,10-14,16,18,23H,2-4,6,8-9,15H2,1H3,(H,24,25)