[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium

Systemtic Name: [3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Openeye Name: [3-methoxy-4-(2-thienylmethoxy)phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium CAS Name: [3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium IUPAC Name: [3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Traditional Name: [3-methoxy-4-(2-thenyloxy)benzyl]-[2-(4-sulfamoylphenyl)ethyl]ammonium Formula: C21H25N2O4S2+ MolecularWeight: 433.5642

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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)OCC3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC2=CC=C(C=C2)S(=O)(=O)N)OCC3=CC=CS3

InChI

InChI=1S/C21H24N2O4S2/c1-26-21-13-17(6-9-20(21)27-15-18-3-2-12-28-18)14-23-11-10-16-4-7-19(8-5-16)29(22,24)25/h2-9,12-13,23H,10-11,14-15H2,1H3,(H2,22,24,25)/p+1