3-[(2-chlorophenyl)-prop-2-enyl-sulfamoyl]-N-(1-methylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 3-[(2-chlorophenyl)-prop-2-enyl-sulfamoyl]-N-(1-methylpiperidin-1-ium-4-yl)benzamide Openeye Name: 3-[allyl-(2-chlorophenyl)sulfamoyl]-N-(1-methylpiperidin-1-ium-4-yl)benzamide CAS Name: 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methylpiperidin-1-ium-4-yl)benzamide Traditional Name: 3-[allyl-(2-chlorophenyl)sulfamoyl]-N-(1-methylpiperidin-1-ium-4-yl)benzamide Formula: C22H27ClN3O3S+ MolecularWeight: 448.98608

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC=C)C3=CC=CC=C3Cl

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC=C)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H26ClN3O3S/c1-3-13-26(21-10-5-4-9-20(21)23)30(28,29)19-8-6-7-17(16-19)22(27)24-18-11-14-25(2)15-12-18/h3-10,16,18H,1,11-15H2,2H3,(H,24,27)/p+1