3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide Openeye Name: 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide CAS Name: 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(1-methyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide Traditional Name: 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CC[NH+](CC3)C)C

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CC[NH+](CC3)C)C

InChI

InChI=1S/C22H29N3O3S/c1-4-25(20-8-6-5-7-9-20)29(27,28)21-16-18(11-10-17(21)2)22(26)23-19-12-14-24(3)15-13-19/h5-11,16,19H,4,12-15H2,1-3H3,(H,23,26)/p+1