(2-nitrophenyl)methyl (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (2-nitrophenyl)methyl (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanyl-butanoate Openeye Name: (2-nitrophenyl)methyl (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-(methylthio)butanoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(piazthiol-4-ylsulfonylamino)butyric acid (2-nitrobenzyl) ester Formula: C18H18N4O6S3 MolecularWeight: 482.55372

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=CC=C1[N+](=O)[O-])NS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CSCC[C@@H](C(=O)OCC1=CC=CC=C1[N+](=O)[O-])NS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C18H18N4O6S3/c1-29-10-9-14(18(23)28-11-12-5-2-3-7-15(12)22(24)25)21-31(26,27)16-8-4-6-13-17(16)20-30-19-13/h2-8,14,21H,9-11H2,1H3/t14-/m0/s1