azanium N-[4-[3-methoxy-2-methoxycarbonyl-3-oxidanylidene-2-(phenylmethoxymethyl)propyl]phenyl]sulfamate

Systemtic Name: azanium N-[4-[3-methoxy-2-methoxycarbonyl-3-oxidanylidene-2-(phenylmethoxymethyl)propyl]phenyl]sulfamate Openeye Name: ammonium N-[4-[2-(benzyloxymethyl)-3-methoxy-2-methoxycarbonyl-3-oxo-propyl]phenyl]sulfamate CAS Name: ammonium N-[4-[3-methoxy-2-methoxycarbonyl-3-oxo-2-(phenylmethoxymethyl)propyl]phenyl]sulfamate IUPAC Name: azanium N-[4-[3-methoxy-2-methoxycarbonyl-3-oxo-2-(phenylmethoxymethyl)propyl]phenyl]sulfamate Traditional Name: ammonium N-[4-[2-(benzoxymethyl)-2-carbomethoxy-3-keto-3-methoxy-propyl]phenyl]sulfamate Formula: C20H26N2O8S MolecularWeight: 454.49404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)NS(=O)(=O)[O-])(COCC2=CC=CC=C2)C(=O)OC.[NH4+]

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)NS(=O)(=O)[O-])(COCC2=CC=CC=C2)C(=O)OC.[NH4+]

InChI

InChI=1S/C20H23NO8S.H3N/c1-27-18(22)20(19(23)28-2,14-29-13-16-6-4-3-5-7-16)12-15-8-10-17(11-9-15)21-30(24,25)26;/h3-11,21H,12-14H2,1-2H3,(H,24,25,26);1H3