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

Systemtic Name: methyl 2-(naphthalen-1-ylsulfonylamino)-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-(1-naphthylsulfonylamino)propanoate CAS Name: 2-(1-naphthalenylsulfonylamino)-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-(naphthalen-1-ylsulfonylamino)propanoate Traditional Name: 3-(benzylthio)-2-(1-naphthylsulfonylamino)propionic acid methyl ester Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4S2/c1-26-21(23)19(15-27-14-16-8-3-2-4-9-16)22-28(24,25)20-13-7-11-17-10-5-6-12-18(17)20/h2-13,19,22H,14-15H2,1H3