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

Systemtic Name: N-(1-methylpiperidin-1-ium-4-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide Openeye Name: 3-[allyl(phenyl)sulfamoyl]-N-(1-methylpiperidin-1-ium-4-yl)benzamide CAS Name: N-(1-methyl-4-piperidin-1-iumyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide IUPAC Name: N-(1-methylpiperidin-1-ium-4-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide Traditional Name: 3-[allyl(phenyl)sulfamoyl]-N-(1-methylpiperidin-1-ium-4-yl)benzamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

Click to see the large picture

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=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-3-14-25(20-9-5-4-6-10-20)29(27,28)21-11-7-8-18(17-21)22(26)23-19-12-15-24(2)16-13-19/h3-11,17,19H,1,12-16H2,2H3,(H,23,26)/p+1