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

Systemtic Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylphenyl)octanoate Openeye Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridyl)phenyl]octanoate CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridinyl)phenyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylphenyl)octanoate Traditional Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[3-(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=CC(=C2)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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