4-[2-(methylsulfonylamino)ethyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CS(=O)(=O)NCCC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

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