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

Systemtic Name: methyl 8-[(3,4-dichlorophenyl)sulfonylamino]-7-pyridin-3-yl-octanoate Openeye Name: methyl 8-[(3,4-dichlorophenyl)sulfonylamino]-7-(3-pyridyl)octanoate CAS Name: 8-[(3,4-dichlorophenyl)sulfonylamino]-7-(3-pyridinyl)octanoic acid methyl ester IUPAC Name: methyl 8-[(3,4-dichlorophenyl)sulfonylamino]-7-pyridin-3-yloctanoate Traditional Name: 8-[(3,4-dichlorophenyl)sulfonylamino]-7-(3-pyridyl)caprylic acid methyl ester Formula: C20H24Cl2N2O4S MolecularWeight: 459.38656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24Cl2N2O4S/c1-28-20(25)8-4-2-3-6-16(15-7-5-11-23-13-15)14-24-29(26,27)17-9-10-18(21)19(22)12-17/h5,7,9-13,16,24H,2-4,6,8,14H2,1H3