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

Systemtic Name: azanium N-[4-[2-[(4-carboxyphenyl)methyl]-3-methoxy-2-methoxycarbonyl-3-oxidanylidene-propyl]phenyl]sulfamate Openeye Name: ammonium N-[4-[2-[(4-carboxyphenyl)methyl]-3-methoxy-2-methoxycarbonyl-3-oxo-propyl]phenyl]sulfamate CAS Name: ammonium N-[4-[2-[(4-carboxyphenyl)methyl]-3-methoxy-2-methoxycarbonyl-3-oxopropyl]phenyl]sulfamate IUPAC Name: azanium N-[4-[2-[(4-carboxyphenyl)methyl]-3-methoxy-2-methoxycarbonyl-3-oxopropyl]phenyl]sulfamate Traditional Name: ammonium N-[4-[2-carbomethoxy-2-(4-carboxybenzyl)-3-keto-3-methoxy-propyl]phenyl]sulfamate Formula: C20H24N2O9S MolecularWeight: 468.47756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C(=O)O)(CC2=CC=C(C=C2)NS(=O)(=O)[O-])C(=O)OC.[NH4+]

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)C(=O)O)(CC2=CC=C(C=C2)NS(=O)(=O)[O-])C(=O)OC.[NH4+]

InChI

InChI=1S/C20H21NO9S.H3N/c1-29-18(24)20(19(25)30-2,11-13-3-7-15(8-4-13)17(22)23)12-14-5-9-16(10-6-14)21-31(26,27)28;/h3-10,21H,11-12H2,1-2H3,(H,22,23)(H,26,27,28);1H3