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

Systemtic Name: azanium N-[4-[3-methoxy-2-methoxycarbonyl-2-[(4-methoxycarbonylphenyl)methyl]-3-oxidanylidene-propyl]phenyl]sulfamate Openeye Name: ammonium N-[4-[3-methoxy-2-methoxycarbonyl-2-[(4-methoxycarbonylphenyl)methyl]-3-oxo-propyl]phenyl]sulfamate CAS Name: ammonium N-[4-[3-methoxy-2-methoxycarbonyl-2-[(4-methoxycarbonylphenyl)methyl]-3-oxopropyl]phenyl]sulfamate IUPAC Name: azanium N-[4-[3-methoxy-2-methoxycarbonyl-2-[(4-methoxycarbonylphenyl)methyl]-3-oxopropyl]phenyl]sulfamate Traditional Name: ammonium N-[4-[2-carbomethoxy-2-(4-carbomethoxybenzyl)-3-keto-3-methoxy-propyl]phenyl]sulfamate Formula: C21H26N2O9S MolecularWeight: 482.50414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO9S.H3N/c1-29-18(23)16-8-4-14(5-9-16)12-21(19(24)30-2,20(25)31-3)13-15-6-10-17(11-7-15)22-32(26,27)28;/h4-11,22H,12-13H2,1-3H3,(H,26,27,28);1H3