methyl 8-[(4-chlorophenyl)sulfonylamino]-6-(pyridin-3-ylmethyl)octanoate

Systemtic Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-6-(pyridin-3-ylmethyl)octanoate Openeye Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-6-(3-pyridylmethyl)octanoate CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-6-(3-pyridinylmethyl)octanoic acid methyl ester IUPAC Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-6-(pyridin-3-ylmethyl)octanoate Traditional Name: 8-[(4-chlorophenyl)sulfonylamino]-6-(3-pyridylmethyl)caprylic acid methyl ester Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(CCNS(=O)(=O)C1=CC=C(C=C1)Cl)CC2=CN=CC=C2

Isomeric SMILES

COC(=O)CCCCC(CCNS(=O)(=O)C1=CC=C(C=C1)Cl)CC2=CN=CC=C2

InChI

InChI=1S/C21H27ClN2O4S/c1-28-21(25)7-3-2-5-17(15-18-6-4-13-23-16-18)12-14-24-29(26,27)20-10-8-19(22)9-11-20/h4,6,8-11,13,16-17,24H,2-3,5,7,12,14-15H2,1H3