methyl 4-[[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]sulfamoyl]benzoate

Systemtic Name: methyl 4-[[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]sulfamoyl]benzoate Openeye Name: methyl 4-[[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]sulfamoyl]benzoate CAS Name: 4-[[(2S)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]sulfamoyl]benzoate Traditional Name: 4-[[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]sulfamoyl]benzoic acid methyl ester Formula: C17H27N2O4S+ MolecularWeight: 355.47228

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[C@H]1CCCC[NH+]1[C@@H](C)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H26N2O4S/c1-13-6-4-5-11-19(13)14(2)12-18-24(21,22)16-9-7-15(8-10-16)17(20)23-3/h7-10,13-14,18H,4-6,11-12H2,1-3H3/p+1/t13-,14-/m0/s1