methyl 2-[(8-chloranylnaphthalen-1-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[(8-chloranylnaphthalen-1-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(8-chloro-1-naphthyl)sulfonylamino]propanoate CAS Name: 2-[(8-chloro-1-naphthalenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(8-chloronaphthalen-1-yl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(8-chloro-1-naphthyl)sulfonylamino]propionic acid methyl ester Formula: C21H20ClNO4S2 MolecularWeight: 449.9708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=C2C(=CC=C3)Cl

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=C2C(=CC=C3)Cl

InChI

InChI=1S/C21H20ClNO4S2/c1-27-21(24)18(14-28-13-15-7-3-2-4-8-15)23-29(25,26)19-12-6-10-16-9-5-11-17(22)20(16)19/h2-12,18,23H,13-14H2,1H3