[(2S)-1-ethoxy-1-oxidanylidene-3-pyrazol-1-yl-propan-2-yl]-(phenylmethyl)sulfamic acid

Systemtic Name: [(2S)-1-ethoxy-1-oxidanylidene-3-pyrazol-1-yl-propan-2-yl]-(phenylmethyl)sulfamic acid Openeye Name: benzyl-[(1S)-2-ethoxy-2-oxo-1-(pyrazol-1-ylmethyl)ethyl]sulfamic acid CAS Name: [(2S)-1-ethoxy-1-oxo-3-(1-pyrazolyl)propan-2-yl]-(phenylmethyl)sulfamic acid IUPAC Name: benzyl-[(2S)-1-ethoxy-1-oxo-3-pyrazol-1-ylpropan-2-yl]sulfamic acid Traditional Name: benzyl-[(1S)-2-ethoxy-2-keto-1-(pyrazol-1-ylmethyl)ethyl]sulfamic acid Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN1C=CC=N1)N(CC2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)[C@H](CN1C=CC=N1)N(CC2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C15H19N3O5S/c1-2-23-15(19)14(12-17-10-6-9-16-17)18(24(20,21)22)11-13-7-4-3-5-8-13/h3-10,14H,2,11-12H2,1H3,(H,20,21,22)/t14-/m0/s1