[2-[4-[3-[[(5S,10R)-7,9-bis(bromanyl)-8-methoxy-10-oxidanyl-4-oxa-3-azaspiro[4.5]deca-2,6,8-trien-2-yl]carbonylamino]propoxy]-3,5-bis(bromanyl)phenyl]-2-oxidanyl-ethyl]sulfamic acid

Systemtic Name: [2-[4-[3-[[(5S,10R)-7,9-bis(bromanyl)-8-methoxy-10-oxidanyl-4-oxa-3-azaspiro[4.5]deca-2,6,8-trien-2-yl]carbonylamino]propoxy]-3,5-bis(bromanyl)phenyl]-2-oxidanyl-ethyl]sulfamic acid Openeye Name: [2-[3,5-dibromo-4-[3-[[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carbonyl]amino]propoxy]phenyl]-2-hydroxy-ethyl]sulfamic acid CAS Name: [2-[3,5-dibromo-4-[3-[[[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-trien-2-yl]-oxomethyl]amino]propoxy]phenyl]-2-hydroxyethyl]sulfamic acid IUPAC Name: [2-[3,5-dibromo-4-[3-[[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carbonyl]amino]propoxy]phenyl]-2-hydroxyethyl]sulfamic acid Traditional Name: [2-[3,5-dibromo-4-[3-[[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carbonyl]amino]propoxy]phenyl]-2-hydroxy-ethyl]sulfamic acid Formula: C21H23Br4N3O9S MolecularWeight: 813.10302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(C2(CC(=NO2)C(=O)NCCCOC3=C(C=C(C=C3Br)C(CNS(=O)(=O)O)O)Br)C=C1Br)O)Br

Isomeric SMILES

COC1=C([C@@H]([C@]2(CC(=NO2)C(=O)NCCCOC3=C(C=C(C=C3Br)C(CNS(=O)(=O)O)O)Br)C=C1Br)O)Br

InChI

InChI=1S/C21H23Br4N3O9S/c1-35-18-13(24)7-21(19(30)16(18)25)8-14(28-37-21)20(31)26-3-2-4-36-17-11(22)5-10(6-12(17)23)15(29)9-27-38(32,33)34/h5-7,15,19,27,29-30H,2-4,8-9H2,1H3,(H,26,31)(H,32,33,34)/t15?,19-,21+/m0/s1