3-[4-[2-[(4-methylphenyl)sulfonylamino]ethylsulfanyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[(4-methylphenyl)sulfonylamino]ethylsulfanyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(p-tolylsulfonylamino)ethylsulfanyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[(4-methylphenyl)sulfonylamino]ethylthio]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[(4-methylphenyl)sulfonylamino]ethylsulfanyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(tosylamino)ethylthio]phenyl]propionic acid Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCSC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCSC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C18H21NO4S2/c1-14-2-9-17(10-3-14)25(22,23)19-12-13-24-16-7-4-15(5-8-16)6-11-18(20)21/h2-5,7-10,19H,6,11-13H2,1H3,(H,20,21)