methyl 3-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylsulfamoyl]benzoate

Systemtic Name: methyl 3-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylsulfamoyl]benzoate Openeye Name: methyl 3-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylsulfamoyl]benzoate CAS Name: 3-[[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]methylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylsulfamoyl]benzoate Traditional Name: 3-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzyl]sulfamoyl]benzoic acid methyl ester Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H28N2O4S/c1-17-10-12-24(13-11-17)16-19-8-6-18(7-9-19)15-23-29(26,27)21-5-3-4-20(14-21)22(25)28-2/h3-9,14,17,23H,10-13,15-16H2,1-2H3/p+1