methyl 8-[(4-fluorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoate

Systemtic Name: methyl 8-[(4-fluorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoate Openeye Name: methyl 8-[(4-fluorophenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]octanoate CAS Name: 8-[(4-fluorophenyl)sulfonylamino]-4-[3-(3-pyridinyl)propyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(4-fluorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoate Traditional Name: 8-[(4-fluorophenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]caprylic acid methyl ester Formula: C23H31FN2O4S MolecularWeight: 450.566643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31FN2O4S/c1-30-23(27)15-10-19(7-4-8-20-9-5-16-25-18-20)6-2-3-17-26-31(28,29)22-13-11-21(24)12-14-22/h5,9,11-14,16,18-19,26H,2-4,6-8,10,15,17H2,1H3