6-[4-[2-[(4-methylphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-yl-hexanoic acid

Systemtic Name: 6-[4-[2-[(4-methylphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-yl-hexanoic acid Openeye Name: 6-[4-[2-(p-tolylsulfonylamino)ethyl]phenyl]-6-(3-pyridyl)hexanoic acid CAS Name: 6-[4-[2-[(4-methylphenyl)sulfonylamino]ethyl]phenyl]-6-(3-pyridinyl)hexanoic acid IUPAC Name: 6-[4-[2-[(4-methylphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhexanoic acid Traditional Name: 6-(3-pyridyl)-6-[4-[2-(tosylamino)ethyl]phenyl]hexanoic acid Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)C(CCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)C(CCCCC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C26H30N2O4S/c1-20-8-14-24(15-9-20)33(31,32)28-18-16-21-10-12-22(13-11-21)25(6-2-3-7-26(29)30)23-5-4-17-27-19-23/h4-5,8-15,17,19,25,28H,2-3,6-7,16,18H2,1H3,(H,29,30)