methyl 2-[[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]sulfamoyl]benzoate

Systemtic Name: methyl 2-[[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]sulfamoyl]benzoate Openeye Name: methyl 2-[[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]sulfamoyl]benzoate CAS Name: 2-[[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]sulfamoyl]benzoate Traditional Name: 2-[[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]sulfamoyl]benzoic acid methyl ester Formula: C20H25N2O5S+ MolecularWeight: 405.4879

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O5S/c1-26-20(23)17-9-5-6-10-19(17)28(24,25)21-18(16-7-3-2-4-8-16)15-22-11-13-27-14-12-22/h2-10,18,21H,11-15H2,1H3/p+1/t18-/m1/s1