2-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]sulfonylbenzoate

Systemtic Name: 2-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]sulfonylbenzoate Openeye Name: 2-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]sulfonylbenzoate CAS Name: 2-[(2S)-1-oxo-1-(propylamino)propan-2-yl]sulfonylbenzoate IUPAC Name: 2-[(2S)-1-oxo-1-(propylamino)propan-2-yl]sulfonylbenzoate Traditional Name: 2-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]sulfonylbenzoate Formula: C13H16NO5S- MolecularWeight: 298.33484

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CCCNC(=O)[C@H](C)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C13H17NO5S/c1-3-8-14-12(15)9(2)20(18,19)11-7-5-4-6-10(11)13(16)17/h4-7,9H,3,8H2,1-2H3,(H,14,15)(H,16,17)/p-1/t9-/m0/s1