(1-azanyl-3-methylsulfonyloxy-1-oxidanylidene-butan-2-yl)-phenylmethoxycarbonyl-sulfamic acid

Systemtic Name: (1-azanyl-3-methylsulfonyloxy-1-oxidanylidene-butan-2-yl)-phenylmethoxycarbonyl-sulfamic acid Openeye Name: benzyloxycarbonyl-(1-carbamoyl-2-methylsulfonyloxy-propyl)sulfamic acid CAS Name: (1-amino-3-methylsulfonyloxy-1-oxobutan-2-yl)-phenylmethoxycarbonylsulfamic acid IUPAC Name: (1-amino-3-methylsulfonyloxy-1-oxobutan-2-yl)-phenylmethoxycarbonylsulfamic acid Traditional Name: (1-carbamoyl-2-methylsulfonyloxy-propyl)-carbobenzoxy-sulfamic acid Formula: C13H18N2O9S2 MolecularWeight: 410.42002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N)N(C(=O)OCC1=CC=CC=C1)S(=O)(=O)O)OS(=O)(=O)C

Isomeric SMILES

CC(C(C(=O)N)N(C(=O)OCC1=CC=CC=C1)S(=O)(=O)O)OS(=O)(=O)C

InChI

InChI=1S/C13H18N2O9S2/c1-9(24-25(2,18)19)11(12(14)16)15(26(20,21)22)13(17)23-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H2,14,16)(H,20,21,22)