ethyl 2-(naphthalen-1-ylsulfonylamino)-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-(naphthalen-1-ylsulfonylamino)-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-(1-naphthylsulfonylamino)propanoate CAS Name: 2-(1-naphthalenylsulfonylamino)-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-(naphthalen-1-ylsulfonylamino)propanoate Traditional Name: 3-(benzylthio)-2-(1-naphthylsulfonylamino)propionic acid ethyl ester Formula: C22H23NO4S2 MolecularWeight: 429.55232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H23NO4S2/c1-2-27-22(24)20(16-28-15-17-9-4-3-5-10-17)23-29(25,26)21-14-8-12-18-11-6-7-13-19(18)21/h3-14,20,23H,2,15-16H2,1H3