methyl 8-[(4-chlorophenyl)sulfonylamino]-7-pyridin-3-yl-octanoate

Systemtic Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-7-pyridin-3-yl-octanoate Openeye Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-7-(3-pyridyl)octanoate CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-7-(3-pyridinyl)octanoic acid methyl ester IUPAC Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-7-pyridin-3-yloctanoate Traditional Name: 8-[(4-chlorophenyl)sulfonylamino]-7-(3-pyridyl)caprylic acid methyl ester Formula: C20H25ClN2O4S MolecularWeight: 424.9415

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCC(CNS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CN=CC=C2

Isomeric SMILES

COC(=O)CCCCCC(CNS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CN=CC=C2

InChI

InChI=1S/C20H25ClN2O4S/c1-27-20(24)8-4-2-3-6-17(16-7-5-13-22-14-16)15-23-28(25,26)19-11-9-18(21)10-12-19/h5,7,9-14,17,23H,2-4,6,8,15H2,1H3