methyl 2-[2-ethylbutyl-(4-methylsulfonylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[2-ethylbutyl-(4-methylsulfonylphenyl)sulfonyl-amino]ethanoate Openeye Name: methyl 2-[2-ethylbutyl-(4-methylsulfonylphenyl)sulfonyl-amino]acetate CAS Name: 2-[2-ethylbutyl-(4-methylsulfonylphenyl)sulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[2-ethylbutyl-(4-methylsulfonylphenyl)sulfonylamino]acetate Traditional Name: 2-[2-ethylbutyl-(4-mesylphenyl)sulfonyl-amino]acetic acid methyl ester Formula: C16H25NO6S2 MolecularWeight: 391.5028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO6S2/c1-5-13(6-2)11-17(12-16(18)23-3)25(21,22)15-9-7-14(8-10-15)24(4,19)20/h7-10,13H,5-6,11-12H2,1-4H3