[4-[3-methoxy-2-methoxycarbonyl-3-oxidanylidene-2-(pyridin-4-ylmethyl)propyl]phenyl]sulfamic acid

Systemtic Name: [4-[3-methoxy-2-methoxycarbonyl-3-oxidanylidene-2-(pyridin-4-ylmethyl)propyl]phenyl]sulfamic acid Openeye Name: [4-[3-methoxy-2-methoxycarbonyl-3-oxo-2-(4-pyridylmethyl)propyl]phenyl]sulfamic acid CAS Name: [4-[3-methoxy-2-methoxycarbonyl-3-oxo-2-(pyridin-4-ylmethyl)propyl]phenyl]sulfamic acid IUPAC Name: [4-[3-methoxy-2-methoxycarbonyl-3-oxo-2-(pyridin-4-ylmethyl)propyl]phenyl]sulfamic acid Traditional Name: [4-[2-carbomethoxy-3-keto-3-methoxy-2-(4-pyridylmethyl)propyl]phenyl]sulfamic acid Formula: C18H20N2O7S MolecularWeight: 408.4256

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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

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)NS(=O)(=O)O)(CC2=CC=NC=C2)C(=O)OC

InChI

InChI=1S/C18H20N2O7S/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)