ethyl 2-[(4-iodophenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(4-iodophenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(4-iodophenyl)sulfonylamino]propanoate CAS Name: 2-[(4-iodophenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(4-iodophenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(4-iodophenyl)sulfonylamino]propionic acid ethyl ester Formula: C18H20INO4S2 MolecularWeight: 505.39017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C18H20INO4S2/c1-2-24-18(21)17(13-25-12-14-6-4-3-5-7-14)20-26(22,23)16-10-8-15(19)9-11-16/h3-11,17,20H,2,12-13H2,1H3