methyl 4-[[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]sulfamoyl]benzoate

Systemtic Name: methyl 4-[[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]sulfamoyl]benzoate Openeye Name: methyl 4-[[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]sulfamoyl]benzoate CAS Name: 4-[[(2S)-3-methyl-2-(4-morpholin-4-iumyl)butyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-3-methyl-2-morpholin-4-ium-4-ylbutyl]sulfamoyl]benzoate Traditional Name: 4-[[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]sulfamoyl]benzoic acid methyl ester Formula: C17H27N2O5S+ MolecularWeight: 371.47168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNS(=O)(=O)C1=CC=C(C=C1)C(=O)OC)[NH+]2CCOCC2

Isomeric SMILES

CC(C)[C@@H](CNS(=O)(=O)C1=CC=C(C=C1)C(=O)OC)[NH+]2CCOCC2

InChI

InChI=1S/C17H26N2O5S/c1-13(2)16(19-8-10-24-11-9-19)12-18-25(21,22)15-6-4-14(5-7-15)17(20)23-3/h4-7,13,16,18H,8-12H2,1-3H3/p+1/t16-/m1/s1