[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C16H22N2O7S MolecularWeight: 386.42008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H22N2O7S/c1-3-4-7-26(21,22)18-11(2)16(20)23-9-15(19)17-12-5-6-13-14(8-12)25-10-24-13/h5-6,8,11,18H,3-4,7,9-10H2,1-2H3,(H,17,19)/t11-/m0/s1