methyl 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]amino]ethanoate

Systemtic Name: methyl 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]amino]ethanoate Openeye Name: methyl 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]amino]acetate CAS Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-1-oxobutyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]amino]acetic acid methyl ester Formula: C16H22N2O7S MolecularWeight: 386.42008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)OC)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(=O)OC)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C16H22N2O7S/c1-10(2)15(16(20)17-9-14(19)23-3)18-26(21,22)11-4-5-12-13(8-11)25-7-6-24-12/h4-5,8,10,15,18H,6-7,9H2,1-3H3,(H,17,20)/t15-/m0/s1