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

Systemtic Name: 3-[4-[2-(naphthalen-2-ylsulfonylamino)ethylsulfanyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(2-naphthylsulfonylamino)ethylsulfanyl]phenyl]propanoic acid CAS Name: 3-[4-[2-(2-naphthalenylsulfonylamino)ethylthio]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(naphthalen-2-ylsulfonylamino)ethylsulfanyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(2-naphthylsulfonylamino)ethylthio]phenyl]propionic acid Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCSC3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCSC3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C21H21NO4S2/c23-21(24)12-7-16-5-9-19(10-6-16)27-14-13-22-28(25,26)20-11-8-17-3-1-2-4-18(17)15-20/h1-6,8-11,15,22H,7,12-14H2,(H,23,24)