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

Systemtic Name: methyl 8-[(4-methylphenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoate Openeye Name: methyl 8-(p-tolylsulfonylamino)-4-[3-(3-pyridyl)propyl]octanoate CAS Name: 8-[(4-methylphenyl)sulfonylamino]-4-[3-(3-pyridinyl)propyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(4-methylphenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoate Traditional Name: 4-[3-(3-pyridyl)propyl]-8-(tosylamino)caprylic acid methyl ester Formula: C24H34N2O4S MolecularWeight: 446.60276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(CCCC2=CN=CC=C2)CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(CCCC2=CN=CC=C2)CCC(=O)OC

InChI

InChI=1S/C24H34N2O4S/c1-20-11-14-23(15-12-20)31(28,29)26-18-4-3-7-21(13-16-24(27)30-2)8-5-9-22-10-6-17-25-19-22/h6,10-12,14-15,17,19,21,26H,3-5,7-9,13,16,18H2,1-2H3