methyl 3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]sulfamoyl]-4-methyl-benzoate

Systemtic Name: methyl 3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]sulfamoyl]-4-methyl-benzoate Openeye Name: methyl 3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]sulfamoyl]-4-methyl-benzoate CAS Name: 3-[[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]sulfamoyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]sulfamoyl]-4-methylbenzoate Traditional Name: 3-[[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]sulfamoyl]-4-methyl-benzoic acid methyl ester Formula: C21H26ClN2O4S+ MolecularWeight: 437.96014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-15-3-6-17(21(25)28-2)13-20(15)29(26,27)23-19-9-11-24(12-10-19)14-16-4-7-18(22)8-5-16/h3-8,13,19,23H,9-12,14H2,1-2H3/p+1