methyl 2-[(2-nitrophenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[(2-nitrophenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(2-nitrophenyl)sulfonylamino]propanoate CAS Name: 2-[(2-nitrophenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(2-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(2-nitrophenyl)sulfonylamino]propionic acid methyl ester Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S2/c1-25-17(20)14(12-26-11-13-7-3-2-4-8-13)18-27(23,24)16-10-6-5-9-15(16)19(21)22/h2-10,14,18H,11-12H2,1H3