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

Systemtic Name: azanium N-[4-[3-methoxy-2-methoxycarbonyl-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-propyl]phenyl]sulfamate Openeye Name: ammonium N-[4-[3-methoxy-2-methoxycarbonyl-2-[(4-methoxyphenyl)methyl]-3-oxo-propyl]phenyl]sulfamate CAS Name: ammonium N-[4-[3-methoxy-2-methoxycarbonyl-2-[(4-methoxyphenyl)methyl]-3-oxopropyl]phenyl]sulfamate IUPAC Name: azanium N-[4-[3-methoxy-2-methoxycarbonyl-2-[(4-methoxyphenyl)methyl]-3-oxopropyl]phenyl]sulfamate Traditional Name: ammonium N-[4-(2-carbomethoxy-3-keto-3-methoxy-2-p-anisyl-propyl)phenyl]sulfamate Formula: C20H26N2O8S MolecularWeight: 454.49404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CC2=CC=C(C=C2)NS(=O)(=O)[O-])(C(=O)OC)C(=O)OC.[NH4+]

Isomeric SMILES

COC1=CC=C(C=C1)CC(CC2=CC=C(C=C2)NS(=O)(=O)[O-])(C(=O)OC)C(=O)OC.[NH4+]

InChI

InChI=1S/C20H23NO8S.H3N/c1-27-17-10-6-15(7-11-17)13-20(18(22)28-2,19(23)29-3)12-14-4-8-16(9-5-14)21-30(24,25)26;/h4-11,21H,12-13H2,1-3H3,(H,24,25,26);1H3