methyl 3-[ethyl-(3-methylsulfonylphenyl)sulfonyl-amino]propanoate

Systemtic Name: methyl 3-[ethyl-(3-methylsulfonylphenyl)sulfonyl-amino]propanoate Openeye Name: methyl 3-[ethyl-(3-methylsulfonylphenyl)sulfonyl-amino]propanoate CAS Name: 3-[ethyl-(3-methylsulfonylphenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[ethyl-(3-methylsulfonylphenyl)sulfonylamino]propanoate Traditional Name: 3-[ethyl-(3-mesylphenyl)sulfonyl-amino]propionic acid methyl ester Formula: C13H19NO6S2 MolecularWeight: 349.42306

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OC)S(=O)(=O)C1=CC=CC(=C1)S(=O)(=O)C

Isomeric SMILES

CCN(CCC(=O)OC)S(=O)(=O)C1=CC=CC(=C1)S(=O)(=O)C

InChI

InChI=1S/C13H19NO6S2/c1-4-14(9-8-13(15)20-2)22(18,19)12-7-5-6-11(10-12)21(3,16)17/h5-7,10H,4,8-9H2,1-3H3