methyl 2-[(4-iodophenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[(4-iodophenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(4-iodophenyl)sulfonylamino]propanoate CAS Name: 2-[(4-iodophenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(4-iodophenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(4-iodophenyl)sulfonylamino]propionic acid methyl ester Formula: C17H18INO4S2 MolecularWeight: 491.36359

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C17H18INO4S2/c1-23-17(20)16(12-24-11-13-5-3-2-4-6-13)19-25(21,22)15-9-7-14(18)8-10-15/h2-10,16,19H,11-12H2,1H3