[(2S,3S)-3-methylsulfonyloxy-2-(2-phenoxyethanoylamino)hept-6-enoyl]sulfamic acid

Systemtic Name: [(2S,3S)-3-methylsulfonyloxy-2-(2-phenoxyethanoylamino)hept-6-enoyl]sulfamic acid Openeye Name: [(2S,3S)-3-methylsulfonyloxy-2-[(2-phenoxyacetyl)amino]hept-6-enoyl]sulfamic acid CAS Name: [(2S,3S)-3-methylsulfonyloxy-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]hept-6-enyl]sulfamic acid IUPAC Name: [(2S,3S)-3-methylsulfonyloxy-2-[(2-phenoxyacetyl)amino]hept-6-enoyl]sulfamic acid Traditional Name: [(2S,3S)-3-methylsulfonyloxy-2-[(2-phenoxyacetyl)amino]hept-6-enoyl]sulfamic acid Formula: C16H22N2O9S2 MolecularWeight: 450.48388

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(CCC=C)C(C(=O)NS(=O)(=O)O)NC(=O)COC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)O[C@@H](CCC=C)[C@@H](C(=O)NS(=O)(=O)O)NC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O9S2/c1-3-4-10-13(27-28(2,21)22)15(16(20)18-29(23,24)25)17-14(19)11-26-12-8-6-5-7-9-12/h3,5-9,13,15H,1,4,10-11H2,2H3,(H,17,19)(H,18,20)(H,23,24,25)/t13-,15-/m0/s1