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

Systemtic Name: [4-[3-methoxy-2-methoxycarbonyl-2-[(3-methoxycarbonylphenyl)methyl]-3-oxidanylidene-propyl]phenyl]sulfamic acid Openeye Name: [4-[3-methoxy-2-methoxycarbonyl-2-[(3-methoxycarbonylphenyl)methyl]-3-oxo-propyl]phenyl]sulfamic acid CAS Name: [4-[3-methoxy-2-methoxycarbonyl-2-[(3-methoxycarbonylphenyl)methyl]-3-oxopropyl]phenyl]sulfamic acid IUPAC Name: [4-[3-methoxy-2-methoxycarbonyl-2-[(3-methoxycarbonylphenyl)methyl]-3-oxopropyl]phenyl]sulfamic acid Traditional Name: [4-[2-carbomethoxy-2-(3-carbomethoxybenzyl)-3-keto-3-methoxy-propyl]phenyl]sulfamic acid Formula: C21H23NO9S MolecularWeight: 465.47362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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