methyl (2S)-4-iodanyl-2-[(2-nitrophenyl)sulfonylamino]butanoate

Systemtic Name: methyl (2S)-4-iodanyl-2-[(2-nitrophenyl)sulfonylamino]butanoate Openeye Name: methyl (2S)-4-iodo-2-[(2-nitrophenyl)sulfonylamino]butanoate CAS Name: (2S)-4-iodo-2-[(2-nitrophenyl)sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-iodo-2-[(2-nitrophenyl)sulfonylamino]butanoate Traditional Name: (2S)-4-iodo-2-[(2-nitrophenyl)sulfonylamino]butyric acid methyl ester Formula: C11H13IN2O6S MolecularWeight: 428.20019

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCI)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CCI)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C11H13IN2O6S/c1-20-11(15)8(6-7-12)13-21(18,19)10-5-3-2-4-9(10)14(16)17/h2-5,8,13H,6-7H2,1H3/t8-/m0/s1