azanium N-[4-[2-ethoxycarbonyl-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]phenyl]sulfamate

Systemtic Name: azanium N-[4-[2-ethoxycarbonyl-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]phenyl]sulfamate Openeye Name: ammonium N-[4-[2-(benzyloxycarbonylamino)-2-ethoxycarbonyl-3-methoxy-3-oxo-propyl]phenyl]sulfamate CAS Name: ammonium N-[4-[2-ethoxycarbonyl-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenyl]sulfamate IUPAC Name: azanium N-[4-[2-ethoxycarbonyl-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenyl]sulfamate Traditional Name: ammonium N-[4-[2-(benzyloxycarbonylamino)-2-carbethoxy-3-keto-3-methoxy-propyl]phenyl]sulfamate Formula: C21H27N3O9S MolecularWeight: 497.51878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)NS(=O)(=O)[O-])(C(=O)OC)NC(=O)OCC2=CC=CC=C2.[NH4+]

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)NS(=O)(=O)[O-])(C(=O)OC)NC(=O)OCC2=CC=CC=C2.[NH4+]

InChI

InChI=1S/C21H24N2O9S.H3N/c1-3-31-19(25)21(18(24)30-2,22-20(26)32-14-16-7-5-4-6-8-16)13-15-9-11-17(12-10-15)23-33(27,28)29;/h4-12,23H,3,13-14H2,1-2H3,(H,22,26)(H,27,28,29);1H3