ethyl 5-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylsulfamoyl]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylsulfamoyl]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylsulfamoyl]-1H-pyrazole-4-carboxylate CAS Name: 5-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylsulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylsulfamoyl]-1H-pyrazole-4-carboxylate Traditional Name: 5-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C18H25N4O4S+ MolecularWeight: 393.4805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C18H24N4O4S/c1-2-26-18(23)16-12-19-21-17(16)27(24,25)20-11-14-5-7-15(8-6-14)13-22-9-3-4-10-22/h5-8,12,20H,2-4,9-11,13H2,1H3,(H,19,21)/p+1