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

Systemtic Name: azanium N-[4-[3-methoxy-2-methoxycarbonyl-3-oxidanylidene-2-(pyridin-4-ylmethyl)propyl]phenyl]sulfamate Openeye Name: ammonium N-[4-[3-methoxy-2-methoxycarbonyl-3-oxo-2-(4-pyridylmethyl)propyl]phenyl]sulfamate CAS Name: ammonium N-[4-[3-methoxy-2-methoxycarbonyl-3-oxo-2-(pyridin-4-ylmethyl)propyl]phenyl]sulfamate IUPAC Name: azanium N-[4-[3-methoxy-2-methoxycarbonyl-3-oxo-2-(pyridin-4-ylmethyl)propyl]phenyl]sulfamate Traditional Name: ammonium N-[4-[2-carbomethoxy-3-keto-3-methoxy-2-(4-pyridylmethyl)propyl]phenyl]sulfamate Formula: C18H23N3O7S MolecularWeight: 425.45612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O7S.H3N/c1-26-16(21)18(17(22)27-2,12-14-7-9-19-10-8-14)11-13-3-5-15(6-4-13)20-28(23,24)25;/h3-10,20H,11-12H2,1-2H3,(H,23,24,25);1H3