ethyl 6-[(4-methylsulfonylphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoate

Systemtic Name: ethyl 6-[(4-methylsulfonylphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoate Openeye Name: ethyl 6-[(4-methylsulfonylphenyl)sulfonylamino]-2-[3-(3-pyridyl)propyl]hexanoate CAS Name: 6-[(4-methylsulfonylphenyl)sulfonylamino]-2-[3-(3-pyridinyl)propyl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[(4-methylsulfonylphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoate Traditional Name: 6-[(4-mesylphenyl)sulfonylamino]-2-[3-(3-pyridyl)propyl]hexanoic acid ethyl ester Formula: C23H32N2O6S2 MolecularWeight: 496.63998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C)CCCC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C)CCCC2=CN=CC=C2

InChI

InChI=1S/C23H32N2O6S2/c1-3-31-23(26)20(11-6-8-19-9-7-16-24-18-19)10-4-5-17-25-33(29,30)22-14-12-21(13-15-22)32(2,27)28/h7,9,12-16,18,20,25H,3-6,8,10-11,17H2,1-2H3