8-[(4-methylphenyl)sulfonylamino]-7-pyridin-3-yl-octanoic acid

Systemtic Name: 8-[(4-methylphenyl)sulfonylamino]-7-pyridin-3-yl-octanoic acid Openeye Name: 8-(p-tolylsulfonylamino)-7-(3-pyridyl)octanoic acid CAS Name: 8-[(4-methylphenyl)sulfonylamino]-7-(3-pyridinyl)octanoic acid IUPAC Name: 8-[(4-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid Traditional Name: 7-(3-pyridyl)-8-(tosylamino)caprylic acid Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-16-9-11-19(12-10-16)27(25,26)22-15-18(17-7-5-13-21-14-17)6-3-2-4-8-20(23)24/h5,7,9-14,18,22H,2-4,6,8,15H2,1H3,(H,23,24)