methyl 2-[3-morpholin-4-ium-4-ylpropyl(thiophen-2-ylmethyl)sulfamoyl]benzoate

Systemtic Name: methyl 2-[3-morpholin-4-ium-4-ylpropyl(thiophen-2-ylmethyl)sulfamoyl]benzoate Openeye Name: methyl 2-[3-morpholin-4-ium-4-ylpropyl(2-thienylmethyl)sulfamoyl]benzoate CAS Name: 2-[3-(4-morpholin-4-iumyl)propyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-morpholin-4-ium-4-ylpropyl(thiophen-2-ylmethyl)sulfamoyl]benzoate Traditional Name: 2-[3-morpholin-4-ium-4-ylpropyl(2-thenyl)sulfamoyl]benzoic acid methyl ester Formula: C20H27N2O5S2+ MolecularWeight: 439.56878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N(CCC[NH+]2CCOCC2)CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N(CCC[NH+]2CCOCC2)CC3=CC=CS3

InChI

InChI=1S/C20H26N2O5S2/c1-26-20(23)18-7-2-3-8-19(18)29(24,25)22(16-17-6-4-15-28-17)10-5-9-21-11-13-27-14-12-21/h2-4,6-8,15H,5,9-14,16H2,1H3/p+1