[3-methoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium

Systemtic Name: [3-methoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Openeye Name: [3-methoxy-4-(2-morpholino-2-oxo-ethoxy)phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium CAS Name: [3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium IUPAC Name: [3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Traditional Name: [4-(2-keto-2-morpholino-ethoxy)-3-methoxy-benzyl]-[2-(4-sulfamoylphenyl)ethyl]ammonium Formula: C22H30N3O6S+ MolecularWeight: 464.5551

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCC2=CC=C(C=C2)S(=O)(=O)N)OCC(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC2=CC=C(C=C2)S(=O)(=O)N)OCC(=O)N3CCOCC3

InChI

InChI=1S/C22H29N3O6S/c1-29-21-14-18(4-7-20(21)31-16-22(26)25-10-12-30-13-11-25)15-24-9-8-17-2-5-19(6-3-17)32(23,27)28/h2-7,14,24H,8-13,15-16H2,1H3,(H2,23,27,28)/p+1