methyl 4-methyl-3-[[(2S)-2-pyrrolidin-1-ium-1-ylpropyl]sulfamoyl]benzoate

Systemtic Name: methyl 4-methyl-3-[[(2S)-2-pyrrolidin-1-ium-1-ylpropyl]sulfamoyl]benzoate Openeye Name: methyl 4-methyl-3-[[(2S)-2-pyrrolidin-1-ium-1-ylpropyl]sulfamoyl]benzoate CAS Name: 4-methyl-3-[[(2S)-2-(1-pyrrolidin-1-iumyl)propyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[(2S)-2-pyrrolidin-1-ium-1-ylpropyl]sulfamoyl]benzoate Traditional Name: 4-methyl-3-[[(2S)-2-pyrrolidin-1-ium-1-ylpropyl]sulfamoyl]benzoic acid methyl ester Formula: C16H25N2O4S+ MolecularWeight: 341.4457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NCC(C)[NH+]2CCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NC[C@H](C)[NH+]2CCCC2

InChI

InChI=1S/C16H24N2O4S/c1-12-6-7-14(16(19)22-3)10-15(12)23(20,21)17-11-13(2)18-8-4-5-9-18/h6-7,10,13,17H,4-5,8-9,11H2,1-3H3/p+1/t13-/m0/s1