methyl 6-[(4-chlorophenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoate

Systemtic Name: methyl 6-[(4-chlorophenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoate Openeye Name: methyl 6-[(4-chlorophenyl)sulfonylamino]-2-[3-(3-pyridyl)propyl]hexanoate CAS Name: 6-[(4-chlorophenyl)sulfonylamino]-2-[3-(3-pyridinyl)propyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-chlorophenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoate Traditional Name: 6-[(4-chlorophenyl)sulfonylamino]-2-[3-(3-pyridyl)propyl]hexanoic acid methyl ester Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCCC2=CN=CC=C2

Isomeric SMILES

COC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCCC2=CN=CC=C2

InChI

InChI=1S/C21H27ClN2O4S/c1-28-21(25)18(9-4-6-17-7-5-14-23-16-17)8-2-3-15-24-29(26,27)20-12-10-19(22)11-13-20/h5,7,10-14,16,18,24H,2-4,6,8-9,15H2,1H3