ethyl 5-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]sulfamoyl]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]sulfamoyl]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]sulfamoyl]-1H-pyrazole-4-carboxylate CAS Name: 5-[[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]sulfamoyl]-1H-pyrazole-4-carboxylate Traditional Name: 5-[[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]sulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C18H24ClN4O4S+ MolecularWeight: 427.92556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H23ClN4O4S/c1-2-27-18(24)16-11-20-21-17(16)28(25,26)22-15-7-9-23(10-8-15)12-13-3-5-14(19)6-4-13/h3-6,11,15,22H,2,7-10,12H2,1H3,(H,20,21)/p+1