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

Systemtic Name: methyl 8-[(4-methylphenyl)sulfonylamino]-7-pyridin-3-yl-octanoate Openeye Name: methyl 8-(p-tolylsulfonylamino)-7-(3-pyridyl)octanoate CAS Name: 8-[(4-methylphenyl)sulfonylamino]-7-(3-pyridinyl)octanoic acid methyl ester IUPAC Name: methyl 8-[(4-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoate Traditional Name: 7-(3-pyridyl)-8-(tosylamino)caprylic acid methyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(CCCCCC(=O)OC)C2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(CCCCCC(=O)OC)C2=CN=CC=C2

InChI

InChI=1S/C21H28N2O4S/c1-17-10-12-20(13-11-17)28(25,26)23-16-19(18-8-6-14-22-15-18)7-4-3-5-9-21(24)27-2/h6,8,10-15,19,23H,3-5,7,9,16H2,1-2H3