methyl 8-[(4-chlorophenyl)sulfonylamino]-4-(4-pyridin-3-ylphenyl)octanoate

Systemtic Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-4-(4-pyridin-3-ylphenyl)octanoate Openeye Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-4-[4-(3-pyridyl)phenyl]octanoate CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[4-(3-pyridinyl)phenyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-4-(4-pyridin-3-ylphenyl)octanoate Traditional Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[4-(3-pyridyl)phenyl]caprylic acid methyl ester Formula: C26H29ClN2O4S MolecularWeight: 501.03746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C3=CN=CC=C3

Isomeric SMILES

COC(=O)CCC(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C3=CN=CC=C3

InChI

InChI=1S/C26H29ClN2O4S/c1-33-26(30)16-11-20(21-7-9-22(10-8-21)23-6-4-17-28-19-23)5-2-3-18-29-34(31,32)25-14-12-24(27)13-15-25/h4,6-10,12-15,17,19-20,29H,2-3,5,11,16,18H2,1H3