2-[methyl(phenylsulfonyl)amino]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 2-[methyl(phenylsulfonyl)amino]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Openeye Name: 2-[benzenesulfonyl(methyl)amino]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide CAS Name: 2-[benzenesulfonyl(methyl)amino]-N-[3-(1-piperidin-1-iumyl)propyl]benzamide IUPAC Name: 2-[benzenesulfonyl(methyl)amino]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Traditional Name: 2-[besyl(methyl)amino]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-24(29(27,28)19-11-4-2-5-12-19)21-14-7-6-13-20(21)22(26)23-15-10-18-25-16-8-3-9-17-25/h2,4-7,11-14H,3,8-10,15-18H2,1H3,(H,23,26)/p+1