ethyl 5-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylsulfamoyl]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylsulfamoyl]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylsulfamoyl]-1H-pyrazole-4-carboxylate CAS Name: 5-[[2-(1-piperidin-1-iumylmethyl)phenyl]methylsulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylsulfamoyl]-1H-pyrazole-4-carboxylate Traditional Name: 5-[[2-(piperidin-1-ium-1-ylmethyl)benzyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C19H27N4O4S+ MolecularWeight: 407.50708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C19H26N4O4S/c1-2-27-19(24)17-13-20-22-18(17)28(25,26)21-12-15-8-4-5-9-16(15)14-23-10-6-3-7-11-23/h4-5,8-9,13,21H,2-3,6-7,10-12,14H2,1H3,(H,20,22)/p+1