4-methyl-3-(methylsulfonylamino)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-methyl-3-(methylsulfonylamino)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-(methanesulfonamido)-4-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-(methanesulfonamido)-4-methyl-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-(methanesulfonamido)-4-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-(methanesulfonamido)-4-methyl-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3)NS(=O)(=O)C

InChI

InChI=1S/C22H29N3O3S/c1-17-10-11-18(14-21(17)24-29(2,27)28)22(26)23-15-19-8-4-5-9-20(19)16-25-12-6-3-7-13-25/h4-5,8-11,14,24H,3,6-7,12-13,15-16H2,1-2H3,(H,23,26)/p+1