[4-[3-methoxy-2-methoxycarbonyl-3-oxidanylidene-2-[(3-sulfamoylphenyl)methyl]propyl]phenyl]sulfamic acid

Systemtic Name: [4-[3-methoxy-2-methoxycarbonyl-3-oxidanylidene-2-[(3-sulfamoylphenyl)methyl]propyl]phenyl]sulfamic acid Openeye Name: [4-[3-methoxy-2-methoxycarbonyl-3-oxo-2-[(3-sulfamoylphenyl)methyl]propyl]phenyl]sulfamic acid CAS Name: [4-[3-methoxy-2-methoxycarbonyl-3-oxo-2-[(3-sulfamoylphenyl)methyl]propyl]phenyl]sulfamic acid IUPAC Name: [4-[3-methoxy-2-methoxycarbonyl-3-oxo-2-[(3-sulfamoylphenyl)methyl]propyl]phenyl]sulfamic acid Traditional Name: [4-[2-carbomethoxy-3-keto-3-methoxy-2-(3-sulfamoylbenzyl)propyl]phenyl]sulfamic acid Formula: C19H22N2O9S2 MolecularWeight: 486.51598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O9S2/c1-29-17(22)19(18(23)30-2,12-14-4-3-5-16(10-14)31(20,24)25)11-13-6-8-15(9-7-13)21-32(26,27)28/h3-10,21H,11-12H2,1-2H3,(H2,20,24,25)(H,26,27,28)