3-[4-[2-(pyridin-3-ylsulfonylamino)ethylsulfanyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(pyridin-3-ylsulfonylamino)ethylsulfanyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(3-pyridylsulfonylamino)ethylsulfanyl]phenyl]propanoic acid CAS Name: 3-[4-[2-(3-pyridinylsulfonylamino)ethylthio]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(pyridin-3-ylsulfonylamino)ethylsulfanyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(3-pyridylsulfonylamino)ethylthio]phenyl]propionic acid Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S2/c19-16(20)8-5-13-3-6-14(7-4-13)23-11-10-18-24(21,22)15-2-1-9-17-12-15/h1-4,6-7,9,12,18H,5,8,10-11H2,(H,19,20)