methyl 3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]sulfamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]sulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 3-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]thiophene-2-carboxylate CAS Name: 3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]sulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C18H23N2O4S2+ MolecularWeight: 395.51622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O4S2/c1-24-18(21)17-16(9-12-25-17)26(22,23)19-15-7-10-20(11-8-15)13-14-5-3-2-4-6-14/h2-6,9,12,15,19H,7-8,10-11,13H2,1H3/p+1